6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile

C44H27N4OP — CID 134602601

IUPAC6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(P(=O)(c4ccccc4)c4ccc5c(c4)c4ccc(C#N)cc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C44H27N4OP/c45-28-30-16-20-37-39-26-35(18-22-41(39)47(43(37)24-30)32-10-4-1-5-11-32)50(49,34-14-8-3-9-15-34)36-19-23-42-40(27-36)38-21-17-31(29-46)25-44(38)48(42)33-12-6-2-7-13-33/h1-27H
InChIKeyCMNQYWBZRQZTOM-UHFFFAOYSA-N
MW658.70 g/mol
LogP9.26
Rot. Bonds5

About 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile

6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile (PubChem CID 134602601) has the molecular formula C44H27N4OP and a molecular weight of 658.70 g/mol. Its IUPAC name is 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile.

Molecular Properties

Compound Name6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
PubChem CID134602601
Molecular FormulaC44H27N4OP
Molecular Weight658.70 g/mol
Exact Mass658.19
IUPAC Name6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(P(=O)(c4ccccc4)c4ccc5c(c4)c4ccc(C#N)cc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C44H27N4OP/c45-28-30-16-20-37-39-26-35(18-22-41(39)47(43(37)24-30)32-10-4-1-5-11-32)50(49,34-14-8-3-9-15-34)36-19-23-42-40(27-36)38-21-17-31(29-46)25-44(38)48(42)33-12-6-2-7-13-33/h1-27H
InChIKeyCMNQYWBZRQZTOM-UHFFFAOYSA-N
XLogP9.26
TPSA74.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.70
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
6-amino-9-phenylcarbazole-2-carbonitrile
CID 147955073
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
7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole
CID 157189690
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
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-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
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
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
CID 87159646
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027

Frequently Asked Questions

What is the IUPAC name of 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile?
The IUPAC name of 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile (CID 134602601) is 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile.
What is the SMILES notation for 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile?
The canonical SMILES for 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile is N#Cc1ccc2c3cc(P(=O)(c4ccccc4)c4ccc5c(c4)c4ccc(C#N)cc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile?
The InChIKey is CMNQYWBZRQZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N4OP/c45-28-30-16-20-37-39-26-35(18-22-41(39)47(43(37)24-30)32-10-4-1-5-11-32)50(49,34-14-8-3-9-15-34)36-19-23-42-40(27-36)38-21-17-31(29-46)25-44(38)48(42)33-12-6-2-7-13-33/h1-27H.
What are the key properties of 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile?
6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile has a molecular weight of 658.70 g/mol, XLogP of 9.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile is sourced from PubChem (CID 134602601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).