5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile

C35H21N3 — CID 166027892

IUPAC5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4ccccc4c32)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C35H21N3/c36-22-24-21-25(18-20-31(24)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38)37-32-14-6-5-13-29(32)30-19-17-23-9-1-2-10-26(23)35(30)37/h1-21H
InChIKeyCOAPHIZMWQVLFM-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.91
Rot. Bonds2

About 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile

5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile (PubChem CID 166027892) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile.

Molecular Properties

Compound Name5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile
PubChem CID166027892
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4ccccc4c32)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C35H21N3/c36-22-24-21-25(18-20-31(24)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38)37-32-14-6-5-13-29(32)30-19-17-23-9-1-2-10-26(23)35(30)37/h1-21H
InChIKeyCOAPHIZMWQVLFM-UHFFFAOYSA-N
XLogP8.91
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505
2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile
CID 121329049
2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
CID 145009970
5-benzo[a]carbazol-11-yl-2-carbazol-9-yl-3-isocyanobenzonitrile
CID 153462373
2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
CID 121337844
11-(6-chloronaphthalen-2-yl)benzo[a]carbazole
CID 167038091
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
2,5-bis(12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-23-yl)benzene-1,4-dicarbonitrile
CID 121328546
3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 170268550
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
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958111
2,5-bis(12-thia-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-23-yl)benzene-1,4-dicarbonitrile
CID 121328964

Frequently Asked Questions

What is the IUPAC name of 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile?
The IUPAC name of 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile (CID 166027892) is 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile.
What is the SMILES notation for 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile?
The canonical SMILES for 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc4ccccc4c32)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile?
The InChIKey is COAPHIZMWQVLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c36-22-24-21-25(18-20-31(24)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38)37-32-14-6-5-13-29(32)30-19-17-23-9-1-2-10-26(23)35(30)37/h1-21H.
What are the key properties of 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile?
5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile has a molecular weight of 483.57 g/mol, XLogP of 8.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile is sourced from PubChem (CID 166027892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).