3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile

C49H30N4 — CID 129291094

IUPAC3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C49H30N4/c50-31-32-15-14-23-39(36-20-6-12-27-45(36)52-43-25-10-4-18-34(43)35-19-5-11-26-44(35)52)49(32)53-46-28-13-8-22-38(46)41-29-40-37-21-7-9-24-42(37)51(47(40)30-48(41)53)33-16-2-1-3-17-33/h1-30H
InChIKeyNCYGRGLQXNMHKP-UHFFFAOYSA-N
MW674.81 g/mol
LogP12.52
Rot. Bonds4

About 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile

3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (PubChem CID 129291094) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
PubChem CID129291094
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C49H30N4/c50-31-32-15-14-23-39(36-20-6-12-27-45(36)52-43-25-10-4-18-34(43)35-19-5-11-26-44(35)52)49(32)53-46-28-13-8-22-38(46)41-29-40-37-21-7-9-24-42(37)51(47(40)30-48(41)53)33-16-2-1-3-17-33/h1-30H
InChIKeyNCYGRGLQXNMHKP-UHFFFAOYSA-N
XLogP12.52
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 134604425
2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile
CID 146544389
3-[6-[3-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-pyridin-3-ylpyrimidin-4-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 163719640
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
2-[2-[2,6-bis(trifluoromethyl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 138498990
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 166572147
2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (CID 129291094) is 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The InChIKey is NCYGRGLQXNMHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c50-31-32-15-14-23-39(36-20-6-12-27-45(36)52-43-25-10-4-18-34(43)35-19-5-11-26-44(35)52)49(32)53-46-28-13-8-22-38(46)41-29-40-37-21-7-9-24-42(37)51(47(40)30-48(41)53)33-16-2-1-3-17-33/h1-30H.
What are the key properties of 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile has a molecular weight of 674.81 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 129291094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).