5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide

Catalog Number	ACM14705636-1
CAS	14705-63-6
Structure
Synonyms	Vanadyl (IV) mesotetraphenylporphine
IUPAC Name	oxovanadium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;
Molecular Weight	679.7
Molecular Formula	C44H28N4OV
Canonical SMILES	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.O=[V+2]
InChI	InChI=1S/C44H28N4.O.V/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;/h1-28H;/q-2;+2
InChI Key	WDCQRRQLLCXEFB-UHFFFAOYSA-N
Appearance	Crystalline
Complexity	1360
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	679.170269
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	679.170269
Rotatable Bond Count	4
Topological Polar Surface Area	43.8 Ų

Q&A

What is the molecular formula of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The molecular formula is C44H28N4OV.

What is the PubChem CID of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The PubChem CID is 2733357.

What is the molecular weight of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The molecular weight is 679.7 g/mol.

What is the IUPAC name of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

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

What is the InChI key of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The InChI key is WDCQRRQLLCXEFB-UHFFFAOYSA-N.

What is the canonical SMILES of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The canonical SMILES is 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.O=[V+2].

What is the hydrogen bond donor count of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The hydrogen bond acceptor count is 5.

What is the rotatable bond count of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The rotatable bond count is 4.

Is 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide a canonicalized compound?

Yes, it is a canonicalized compound.