6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile

C26H12BrN5S — CID 146248744

IUPAC6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccc(C#N)cc3c3cc(-c4ccc(Br)c5nsnc45)ccc32)cc1
InChIInChI=1S/C26H12BrN5S/c27-22-8-7-19(25-26(22)31-33-30-25)17-4-10-24-21(12-17)20-11-16(14-29)3-9-23(20)32(24)18-5-1-15(13-28)2-6-18/h1-12H
InChIKeyQBPBFDFFYJFXIL-UHFFFAOYSA-N
MW506.39 g/mol
LogP6.96
Rot. Bonds2

About 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile

6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile (PubChem CID 146248744) has the molecular formula C26H12BrN5S and a molecular weight of 506.39 g/mol. Its IUPAC name is 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
PubChem CID146248744
Molecular FormulaC26H12BrN5S
Molecular Weight506.39 g/mol
Exact Mass505.00
IUPAC Name6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccc(C#N)cc3c3cc(-c4ccc(Br)c5nsnc45)ccc32)cc1
InChIInChI=1S/C26H12BrN5S/c27-22-8-7-19(25-26(22)31-33-30-25)17-4-10-24-21(12-17)20-11-16(14-29)3-9-23(20)32(24)18-5-1-15(13-28)2-6-18/h1-12H
InChIKeyQBPBFDFFYJFXIL-UHFFFAOYSA-N
XLogP6.96
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.39
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
CID 118632511
4-[4-(N-[7-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile
CID 146251123
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-bromo-7-[6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]-2,1,3-benzothiadiazole
CID 102340727
4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile
CID 89018423
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
4-[4-(N-[7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazol-4-yl]anilino)phenyl]benzonitrile;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 158104211
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The IUPAC name of 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile (CID 146248744) is 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile.
What is the SMILES notation for 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The canonical SMILES for 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccc(C#N)cc3c3cc(-c4ccc(Br)c5nsnc45)ccc32)cc1.
What is the InChIKey of 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The InChIKey is QBPBFDFFYJFXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12BrN5S/c27-22-8-7-19(25-26(22)31-33-30-25)17-4-10-24-21(12-17)20-11-16(14-29)3-9-23(20)32(24)18-5-1-15(13-28)2-6-18/h1-12H.
What are the key properties of 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile has a molecular weight of 506.39 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile is sourced from PubChem (CID 146248744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).