3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile

C56H34N4 — CID 137368622

IUPAC3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(C#N)c(-c2ccccc2)c(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c(-c2ccccc2)c1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C56H34N4/c57-35-47-48(36-58)54(39-29-31-45-43-25-13-15-27-49(43)59(51(45)33-39)41-21-9-3-10-22-41)55(38-19-7-2-8-20-38)56(53(47)37-17-5-1-6-18-37)40-30-32-46-44-26-14-16-28-50(44)60(52(46)34-40)42-23-11-4-12-24-42/h1-34H
InChIKeyVWDUQXOSFWRHTP-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.29
Rot. Bonds6

About 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile

3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile (PubChem CID 137368622) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
PubChem CID137368622
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(C#N)c(-c2ccccc2)c(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c(-c2ccccc2)c1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C56H34N4/c57-35-47-48(36-58)54(39-29-31-45-43-25-13-15-27-49(43)59(51(45)33-39)41-21-9-3-10-22-41)55(38-19-7-2-8-20-38)56(53(47)37-17-5-1-6-18-37)40-30-32-46-44-26-14-16-28-50(44)60(52(46)34-40)42-23-11-4-12-24-42/h1-34H
InChIKeyVWDUQXOSFWRHTP-UHFFFAOYSA-N
XLogP14.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122414507
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
CID 167015423
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
CID 158193540
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile (CID 137368622) is 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile is N#Cc1c(C#N)c(-c2ccccc2)c(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c(-c2ccccc2)c1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
The InChIKey is VWDUQXOSFWRHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c57-35-47-48(36-58)54(39-29-31-45-43-25-13-15-27-49(43)59(51(45)33-39)41-21-9-3-10-22-41)55(38-19-7-2-8-20-38)56(53(47)37-17-5-1-6-18-37)40-30-32-46-44-26-14-16-28-50(44)60(52(46)34-40)42-23-11-4-12-24-42/h1-34H.
What are the key properties of 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile has a molecular weight of 762.92 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 137368622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).