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

C30H19N2OP — CID 134317550

IUPAC14,22-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
SMILESc1ccc(N2c3cccc4c3P3c5c(cccc5N(c5ccccc5)c5cccc2c53)O4)cc1
InChIInChI=1S/C30H19N2OP/c1-3-10-20(11-4-1)31-22-14-7-15-23-28(22)34-29-24(31)16-8-18-26(29)33-27-19-9-17-25(30(27)34)32(23)21-12-5-2-6-13-21/h1-19H
InChIKeyVNPGTKLRUCMDSN-UHFFFAOYSA-N
MW454.47 g/mol
LogP7.12
Rot. Bonds2

About 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

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 134317550) has the molecular formula C30H19N2OP and a molecular weight of 454.47 g/mol. Its IUPAC name is 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 Name14,22-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 CID134317550
Molecular FormulaC30H19N2OP
Molecular Weight454.47 g/mol
Exact Mass454.12
IUPAC Name14,22-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
SMILESc1ccc(N2c3cccc4c3P3c5c(cccc5N(c5ccccc5)c5cccc2c53)O4)cc1
InChIInChI=1S/C30H19N2OP/c1-3-10-20(11-4-1)31-22-14-7-15-23-28(22)34-29-24(31)16-8-18-26(29)33-27-19-9-17-25(30(27)34)32(23)21-12-5-2-6-13-21/h1-19H
InChIKeyVNPGTKLRUCMDSN-UHFFFAOYSA-N
XLogP7.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.47
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 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 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 134317550) is 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 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 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 c1ccc(N2c3cccc4c3P3c5c(cccc5N(c5ccccc5)c5cccc2c53)O4)cc1.
What is the InChIKey of 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 VNPGTKLRUCMDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N2OP/c1-3-10-20(11-4-1)31-22-14-7-15-23-28(22)34-29-24(31)16-8-18-26(29)33-27-19-9-17-25(30(27)34)32(23)21-12-5-2-6-13-21/h1-19H.
What are the key properties of 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?
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 454.47 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 134317550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).