2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile

C42H24N4 — CID 121337844

IUPAC2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4ccc32)nc2ccccc12
InChIInChI=1S/C42H24N4/c43-25-28-24-40(44-36-14-6-3-10-30(28)36)46-38-16-8-5-13-35(38)41-31-21-19-29(23-27(31)18-22-39(41)46)45-37-15-7-4-12-33(37)34-20-17-26-9-1-2-11-32(26)42(34)45/h1-24H
InChIKeyLDDOAXPQXSYGJI-UHFFFAOYSA-N
MW584.68 g/mol
LogP10.61
Rot. Bonds2

About 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile

2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile (PubChem CID 121337844) has the molecular formula C42H24N4 and a molecular weight of 584.68 g/mol. Its IUPAC name is 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
PubChem CID121337844
Molecular FormulaC42H24N4
Molecular Weight584.68 g/mol
Exact Mass584.20
IUPAC Name2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4ccc32)nc2ccccc12
InChIInChI=1S/C42H24N4/c43-25-28-24-40(44-36-14-6-3-10-30(28)36)46-38-16-8-5-13-35(38)41-31-21-19-29(23-27(31)18-22-39(41)46)45-37-15-7-4-12-33(37)34-20-17-26-9-1-2-11-32(26)42(34)45/h1-24H
InChIKeyLDDOAXPQXSYGJI-UHFFFAOYSA-N
XLogP10.61
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile
CID 161249923
7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
CID 121337810
5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile
CID 166027892
2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile
CID 157146532
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
CID 145009970
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
6-(3-benzo[a]carbazol-11-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-(3-benzo[c]carbazol-7-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-(3-carbazol-9-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 159283423
4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505
2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
CID 161057241
2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile
CID 121337887
2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 131979682

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile (CID 121337844) is 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile is N#Cc1cc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4ccc32)nc2ccccc12.
What is the InChIKey of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
The InChIKey is LDDOAXPQXSYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4/c43-25-28-24-40(44-36-14-6-3-10-30(28)36)46-38-16-8-5-13-35(38)41-31-21-19-29(23-27(31)18-22-39(41)46)45-37-15-7-4-12-33(37)34-20-17-26-9-1-2-11-32(26)42(34)45/h1-24H.
What are the key properties of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile has a molecular weight of 584.68 g/mol, XLogP of 10.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 121337844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).