9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C42H27N2OP — CID 147223016

IUPAC9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccccc3n(-c3ccc4c5ccccc5n5c6ccccc6c3c45)c2c1
InChIInChI=1S/C42H27N2OP/c45-46(28-13-3-1-4-14-28,29-15-5-2-6-16-29)30-23-24-33-31-17-7-10-20-36(31)43(40(33)27-30)39-26-25-34-32-18-8-11-21-37(32)44-38-22-12-9-19-35(38)41(39)42(34)44/h1-27H
InChIKeyCHLFDQZHMZGEMI-UHFFFAOYSA-N
MW606.67 g/mol
LogP9.57
Rot. Bonds4

About 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 147223016) has the molecular formula C42H27N2OP and a molecular weight of 606.67 g/mol. Its IUPAC name is 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID147223016
Molecular FormulaC42H27N2OP
Molecular Weight606.67 g/mol
Exact Mass606.19
IUPAC Name9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccccc3n(-c3ccc4c5ccccc5n5c6ccccc6c3c45)c2c1
InChIInChI=1S/C42H27N2OP/c45-46(28-13-3-1-4-14-28,29-15-5-2-6-16-29)30-23-24-33-31-17-7-10-20-36(31)43(40(33)27-30)39-26-25-34-32-18-8-11-21-37(32)44-38-22-12-9-19-35(38)41(39)42(34)44/h1-27H
InChIKeyCHLFDQZHMZGEMI-UHFFFAOYSA-N
XLogP9.57
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422791
12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole
CID 58175572
9-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422818
16-(4-diphenylphosphorylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 126655984
5-bis(4-phenylphenyl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742058
9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole
CID 87159765
7-diphenylphosphoryl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4(9),5,7,11,13,15,17,19,21,23-dodecaene
CID 134336609
6-diphenylphosphoryl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11,13,15,18,20,22,24-dodecaene
CID 134336545
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
3-(3-diphenylphosphorylphenyl)-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123835
14-(4-diphenylphosphorylphenyl)-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123212
6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509181

Frequently Asked Questions

What is the IUPAC name of 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 147223016) is 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is O=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccccc3n(-c3ccc4c5ccccc5n5c6ccccc6c3c45)c2c1.
What is the InChIKey of 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is CHLFDQZHMZGEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N2OP/c45-46(28-13-3-1-4-14-28,29-15-5-2-6-16-29)30-23-24-33-31-17-7-10-20-36(31)43(40(33)27-30)39-26-25-34-32-18-8-11-21-37(32)44-38-22-12-9-19-35(38)41(39)42(34)44/h1-27H.
What are the key properties of 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 606.67 g/mol, XLogP of 9.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 147223016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).