5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl

Catalog Number	ACM32073840-1
CAS	32073-84-0
Structure
Synonyms	Carbon monoxide;rhodium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
IUPAC Name	carbon monoxide;rhodium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
Molecular Weight	743.6
Molecular Formula	C45H28N4ORh
Canonical SMILES	[C-]#[O+].C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Rh+2]
InChI	InChI=1S/C44H28N4.CO.Rh/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2;/h1-28H;/q-2;+2
InChI Key	DXHUCYNUSWOHBR-UHFFFAOYSA-N
Complexity	1340
Covalently-Bonded Unit Count	3
Exact Mass	743.13181
Formal Charge	0
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	743.13181
Rotatable Bond Count	4
Topological Polar Surface Area	27.7 Ų

Q&A

What is the molecular formula of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The molecular formula is C45H28N4ORh.

What is the molecular weight of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The molecular weight is 743.6 g/mol.

What is the IUPAC name of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The IUPAC name is carbon monoxide;rhodium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide.

What is the InChI of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The InChI is InChI=1S/C44H28N4.CO.Rh/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2;/h1-28H;;/q-2;;+2.

What is the Canonical SMILES of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The Canonical SMILES is [C-]#[O+].C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Rh+2].

What is the CAS number of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The CAS number is 32073-84-0.

What is the EC number of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The EC number is 620-639-4.

What is the hydrogen bond donor count of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The hydrogen bond acceptor count is 5.

What is the rotatable bond count of 5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl?

The rotatable bond count is 4.