7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile

C44H27N4P — CID 134602358

IUPAC7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccc(P(c4ccccc4)c4ccc5c6ccc(C#N)cc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C44H27N4P/c45-28-30-16-20-37-39-22-18-35(26-43(39)47(41(37)24-30)32-10-4-1-5-11-32)49(34-14-8-3-9-15-34)36-19-23-40-38-21-17-31(29-46)25-42(38)48(44(40)27-36)33-12-6-2-7-13-33/h1-27H
InChIKeyQXRUFBKTJGJYKO-UHFFFAOYSA-N
MW642.70 g/mol
LogP9.38
Rot. Bonds5

About 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile

7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile (PubChem CID 134602358) has the molecular formula C44H27N4P and a molecular weight of 642.70 g/mol. Its IUPAC name is 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile.

Molecular Properties

Compound Name7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile
PubChem CID134602358
Molecular FormulaC44H27N4P
Molecular Weight642.70 g/mol
Exact Mass642.20
IUPAC Name7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccc(P(c4ccccc4)c4ccc5c6ccc(C#N)cc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C44H27N4P/c45-28-30-16-20-37-39-22-18-35(26-43(39)47(41(37)24-30)32-10-4-1-5-11-32)49(34-14-8-3-9-15-34)36-19-23-40-38-21-17-31(29-46)25-42(38)48(44(40)27-36)33-12-6-2-7-13-33/h1-27H
InChIKeyQXRUFBKTJGJYKO-UHFFFAOYSA-N
XLogP9.38
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.70
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-9-phenylcarbazole-2-carbonitrile
CID 147955073
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
5-amino-9-phenylcarbazole-2-carbonitrile
CID 163682260
7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
CID 134602601
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
9-(3-tert-butylphenyl)carbazole-2-carbonitrile
CID 164818616
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

Frequently Asked Questions

What is the IUPAC name of 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile?
The IUPAC name of 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile (CID 134602358) is 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile.
What is the SMILES notation for 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile?
The canonical SMILES for 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile is N#Cc1ccc2c3ccc(P(c4ccccc4)c4ccc5c6ccc(C#N)cc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile?
The InChIKey is QXRUFBKTJGJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N4P/c45-28-30-16-20-37-39-22-18-35(26-43(39)47(41(37)24-30)32-10-4-1-5-11-32)49(34-14-8-3-9-15-34)36-19-23-40-38-21-17-31(29-46)25-42(38)48(44(40)27-36)33-12-6-2-7-13-33/h1-27H.
What are the key properties of 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile?
7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile has a molecular weight of 642.70 g/mol, XLogP of 9.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile is sourced from PubChem (CID 134602358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).