3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile

C50H30N4 — CID 121337871

IUPAC3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c6c7ccccc7ccc6n(-c6ccccc6)c5c4)ccc32)nc2ccccc12
InChIInChI=1S/C50H30N4/c51-31-42-38-19-9-11-21-43(38)52-50(48(42)33-14-3-1-4-15-33)54-44-22-12-10-20-39(44)41-29-34(25-27-45(41)54)35-23-26-40-47(30-35)53(36-16-5-2-6-17-36)46-28-24-32-13-7-8-18-37(32)49(40)46/h1-30H
InChIKeyLKTFEAQTXRBBJG-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.79
Rot. Bonds4

About 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile

3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile (PubChem CID 121337871) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile
PubChem CID121337871
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c6c7ccccc7ccc6n(-c6ccccc6)c5c4)ccc32)nc2ccccc12
InChIInChI=1S/C50H30N4/c51-31-42-38-19-9-11-21-43(38)52-50(48(42)33-14-3-1-4-15-33)54-44-22-12-10-20-39(44)41-29-34(25-27-45(41)54)35-23-26-40-47(30-35)53(36-16-5-2-6-17-36)46-28-24-32-13-7-8-18-37(32)49(40)46/h1-30H
InChIKeyLKTFEAQTXRBBJG-UHFFFAOYSA-N
XLogP12.79
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-9-yl)-3-phenylquinoline-4-carbonitrile
CID 121337906
7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[c]carbazole;7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158285865
7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 118492934
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile
CID 162228767
7-phenyl-9-(9-pyridin-3-ylcarbazol-3-yl)benzo[c]carbazole
CID 129294310
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
1-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-(4-phenylphenyl)benzo[f]quinazoline
CID 121401885
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122414507
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile?
The IUPAC name of 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile (CID 121337871) is 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile?
The canonical SMILES for 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile is N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c6c7ccccc7ccc6n(-c6ccccc6)c5c4)ccc32)nc2ccccc12.
What is the InChIKey of 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile?
The InChIKey is LKTFEAQTXRBBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c51-31-42-38-19-9-11-21-43(38)52-50(48(42)33-14-3-1-4-15-33)54-44-22-12-10-20-39(44)41-29-34(25-27-45(41)54)35-23-26-40-47(30-35)53(36-16-5-2-6-17-36)46-28-24-32-13-7-8-18-37(32)49(40)46/h1-30H.
What are the key properties of 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile?
3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile has a molecular weight of 686.82 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 121337871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).