9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole

C32H22NO2P — CID 87159765

IUPAC9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1cccc2occc12
InChIInChI=1S/C32H22NO2P/c34-36(23-10-3-1-4-11-23,24-12-5-2-6-13-24)25-18-19-31-28(22-25)26-14-7-8-15-29(26)33(31)30-16-9-17-32-27(30)20-21-35-32/h1-22H
InChIKeyVGTJUDIBEAOMEV-UHFFFAOYSA-N
MW483.51 g/mol
LogP7.17
Rot. Bonds4

About 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole

9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole (PubChem CID 87159765) has the molecular formula C32H22NO2P and a molecular weight of 483.51 g/mol. Its IUPAC name is 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole.

Molecular Properties

Compound Name9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole
PubChem CID87159765
Molecular FormulaC32H22NO2P
Molecular Weight483.51 g/mol
Exact Mass483.14
IUPAC Name9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1cccc2occc12
InChIInChI=1S/C32H22NO2P/c34-36(23-10-3-1-4-11-23,24-12-5-2-6-13-24)25-18-19-31-28(22-25)26-14-7-8-15-29(26)33(31)30-16-9-17-32-27(30)20-21-35-32/h1-22H
InChIKeyVGTJUDIBEAOMEV-UHFFFAOYSA-N
XLogP7.17
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.51
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole
CID 163913578
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
CID 87159769
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
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
CID 87159646
5-di(dibenzofuran-2-yl)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 138742029
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
2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
CID 164994259
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
3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 90350957
9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole
CID 163934503

Frequently Asked Questions

What is the IUPAC name of 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole?
The IUPAC name of 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole (CID 87159765) is 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole.
What is the SMILES notation for 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole?
The canonical SMILES for 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole is O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1cccc2occc12.
What is the InChIKey of 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole?
The InChIKey is VGTJUDIBEAOMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22NO2P/c34-36(23-10-3-1-4-11-23,24-12-5-2-6-13-24)25-18-19-31-28(22-25)26-14-7-8-15-29(26)33(31)30-16-9-17-32-27(30)20-21-35-32/h1-22H.
What are the key properties of 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole?
9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole has a molecular weight of 483.51 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole is sourced from PubChem (CID 87159765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).