2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

C49H31N3 — CID 122414507

IUPAC2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1-c1ccccc1
InChIInChI=1S/C49H31N3/c50-32-45-42(33-14-4-1-5-15-33)30-38(31-43(45)34-16-6-2-7-17-34)52-47-23-13-11-21-40(47)44-28-35(25-27-48(44)52)36-24-26-41-39-20-10-12-22-46(39)51(49(41)29-36)37-18-8-3-9-19-37/h1-31H
InChIKeyQXDCXBPEQZWNGG-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.75
Rot. Bonds5

About 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 122414507) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
PubChem CID122414507
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1-c1ccccc1
InChIInChI=1S/C49H31N3/c50-32-45-42(33-14-4-1-5-15-33)30-38(31-43(45)34-16-6-2-7-17-34)52-47-23-13-11-21-40(47)44-28-35(25-27-48(44)52)36-24-26-41-39-20-10-12-22-46(39)51(49(41)29-36)37-18-8-3-9-19-37/h1-31H
InChIKeyQXDCXBPEQZWNGG-UHFFFAOYSA-N
XLogP12.75
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
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
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (CID 122414507) is 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is N#Cc1c(-c2ccccc2)cc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1-c1ccccc1.
What is the InChIKey of 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is QXDCXBPEQZWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c50-32-45-42(33-14-4-1-5-15-33)30-38(31-43(45)34-16-6-2-7-17-34)52-47-23-13-11-21-40(47)44-28-35(25-27-48(44)52)36-24-26-41-39-20-10-12-22-46(39)51(49(41)29-36)37-18-8-3-9-19-37/h1-31H.
What are the key properties of 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 661.81 g/mol, XLogP of 12.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122414507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).