2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile

C20H9Br2N3 — CID 175501934

IUPAC2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C20H9Br2N3/c21-14-4-6-18-16(8-14)17-9-15(22)5-7-19(17)25(18)20-12(10-23)2-1-3-13(20)11-24/h1-9H
InChIKeyNJVKXKJBKZXZSR-UHFFFAOYSA-N
MW451.12 g/mol
LogP6.05
Rot. Bonds1

About 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile

2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 175501934) has the molecular formula C20H9Br2N3 and a molecular weight of 451.12 g/mol. Its IUPAC name is 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID175501934
Molecular FormulaC20H9Br2N3
Molecular Weight451.12 g/mol
Exact Mass448.92
IUPAC Name2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C20H9Br2N3/c21-14-4-6-18-16(8-14)17-9-15(22)5-7-19(17)25(18)20-12(10-23)2-1-3-13(20)11-24/h1-9H
InChIKeyNJVKXKJBKZXZSR-UHFFFAOYSA-N
XLogP6.05
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.12
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
CID 118632511
2-[3-[9-(2-cyano-6-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]-3-isocyanobenzonitrile
CID 140720967
2-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)benzene-1,3-dicarbonitrile
CID 121324496
2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 139525947
2-[3-methoxy-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418165
2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
CID 145009985
4-(3,6-dibromocarbazol-9-yl)benzenediazonium
CID 122390307
2-[4-(3,6-dibromocarbazol-9-yl)phenyl]-3,3-diphenylprop-2-enenitrile
CID 132522260
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
5-bromo-1-propan-2-ylindazole-3-carbonitrile
CID 166063217
CID 89213448
CID 89213448

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 175501934) is 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-n1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is NJVKXKJBKZXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9Br2N3/c21-14-4-6-18-16(8-14)17-9-15(22)5-7-19(17)25(18)20-12(10-23)2-1-3-13(20)11-24/h1-9H.
What are the key properties of 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile?
2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 451.12 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dibromocarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 175501934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).