9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile

C25H14BrN3 — CID 122498912

IUPAC9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3ccc(Br)cc3c2c1
InChIInChI=1S/C25H14BrN3/c26-16-6-8-22-19(12-16)20-13-17(7-9-23(20)28-22)29-24-4-2-1-3-18(24)21-11-15(14-27)5-10-25(21)29/h1-13,28H
InChIKeyTXTQNUWRLBZJIB-UHFFFAOYSA-N
MW436.31 g/mol
LogP7.05
Rot. Bonds1

About 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile

9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile (PubChem CID 122498912) has the molecular formula C25H14BrN3 and a molecular weight of 436.31 g/mol. Its IUPAC name is 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile
PubChem CID122498912
Molecular FormulaC25H14BrN3
Molecular Weight436.31 g/mol
Exact Mass435.04
IUPAC Name9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3ccc(Br)cc3c2c1
InChIInChI=1S/C25H14BrN3/c26-16-6-8-22-19(12-16)20-13-17(7-9-23(20)28-22)29-24-4-2-1-3-18(24)21-11-15(14-27)5-10-25(21)29/h1-13,28H
InChIKeyTXTQNUWRLBZJIB-UHFFFAOYSA-N
XLogP7.05
TPSA44.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
CID 161042085
8-bromodibenzothiophene-2-carbonitrile;molecular hydrogen;8-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-2-carbonitrile
CID 159682424
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140823043
4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
CID 118632511
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
5,15-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile
CID 134450403
5,15-bis(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile
CID 134450401

Frequently Asked Questions

What is the IUPAC name of 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile (CID 122498912) is 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3ccc(Br)cc3c2c1.
What is the InChIKey of 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile?
The InChIKey is TXTQNUWRLBZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrN3/c26-16-6-8-22-19(12-16)20-13-17(7-9-23(20)28-22)29-24-4-2-1-3-18(24)21-11-15(14-27)5-10-25(21)29/h1-13,28H.
What are the key properties of 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile?
9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile has a molecular weight of 436.31 g/mol, XLogP of 7.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 122498912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).