(S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine

Catalog Number	ACM180322718
CAS	180322-71-8
Synonyms	Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 4-phenyl-, (11bS)- (9CI)
IUPAC Name	13-phenyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
Molecular Weight	392.39
Molecular Formula	C26H17O2P
InChI	KISQWIJXRXERLZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C26H17O2P/c1-2-10-20(11-3-1)29-27-23-16-14-18-8-4-6-12-21(18)25(23)26-22-13-7-5-9-19(22)15-17-24(26)28-29/h1-17H
Boiling Point	580.6±23.0 °C(Predicted)
Melting Point	165 °C
Purity	98%
Isomeric SMILES	C1=CC=C(C=C1)P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65

Q&A

What is the exact mass of (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The exact mass is 392.09661678.

What is the molecular formula of (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The molecular formula is C26H17O2P.

What is the molecular weight of (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The molecular weight is 392.4g/mol.

How many rotatable bonds are present in (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

There is 1 rotatable bond.

How many hydrogen bond acceptors are present in (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

There are 2 hydrogen bond acceptors.

What is the Canonical SMILES representation of (S)-4-Phenyldinaphtho[2,1-d:1',2'-f[1,3,2]dioxaphosphepine?

The Canonical SMILES is C1=CC=C(C=C1)C2=CC=CC3=C2C=CC4=C3C5=C(C=CC6=CC=CC=C65)OPO4.

What is the InChIKey of (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The InChIKey is QBKWMYSNCZRVFX-UHFFFAOYSA-N.

How many covalently-bonded units are present in (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

There is 1 covalently-bonded unit.

What is the complexity value of (S)-4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The complexity value is 561.