5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C30H17Cl2N2OP — CID 134317521

IUPAC5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESClc1cc2c3c(c1)N(c1ccccc1)c1cccc4c1P3c1c(cc(Cl)cc1N4c1ccccc1)O2
InChIInChI=1S/C30H17Cl2N2OP/c31-18-14-24-29-26(16-18)35-27-17-19(32)15-25-30(27)36(29)28-22(33(24)20-8-3-1-4-9-20)12-7-13-23(28)34(25)21-10-5-2-6-11-21/h1-17H
InChIKeyUWYILCNLEBMDKI-UHFFFAOYSA-N
MW523.36 g/mol
LogP8.42
Rot. Bonds2

About 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 134317521) has the molecular formula C30H17Cl2N2OP and a molecular weight of 523.36 g/mol. Its IUPAC name is 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID134317521
Molecular FormulaC30H17Cl2N2OP
Molecular Weight523.36 g/mol
Exact Mass522.05
IUPAC Name5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESClc1cc2c3c(c1)N(c1ccccc1)c1cccc4c1P3c1c(cc(Cl)cc1N4c1ccccc1)O2
InChIInChI=1S/C30H17Cl2N2OP/c31-18-14-24-29-26(16-18)35-27-17-19(32)15-25-30(27)36(29)28-22(33(24)20-8-3-1-4-9-20)12-7-13-23(28)34(25)21-10-5-2-6-11-21/h1-17H
InChIKeyUWYILCNLEBMDKI-UHFFFAOYSA-N
XLogP8.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.36
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 134317521) is 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is Clc1cc2c3c(c1)N(c1ccccc1)c1cccc4c1P3c1c(cc(Cl)cc1N4c1ccccc1)O2.
What is the InChIKey of 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is UWYILCNLEBMDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17Cl2N2OP/c31-18-14-24-29-26(16-18)35-27-17-19(32)15-25-30(27)36(29)28-22(33(24)20-8-3-1-4-9-20)12-7-13-23(28)34(25)21-10-5-2-6-11-21/h1-17H.
What are the key properties of 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 523.36 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dichloro-14,22-diphenyl-8-oxa-14,22-diaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 134317521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).