4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile

C25H14Br2N2 — CID 118632511

IUPAC4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)cc2)cc1
InChIInChI=1S/C25H14Br2N2/c26-19-7-11-24-22(13-19)23-14-20(27)8-12-25(23)29(24)21-9-5-18(6-10-21)17-3-1-16(15-28)2-4-17/h1-14H
InChIKeySJHZSRXLJFPBAC-UHFFFAOYSA-N
MW502.21 g/mol
LogP7.85
Rot. Bonds2

About 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile

4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile (PubChem CID 118632511) has the molecular formula C25H14Br2N2 and a molecular weight of 502.21 g/mol. Its IUPAC name is 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
PubChem CID118632511
Molecular FormulaC25H14Br2N2
Molecular Weight502.21 g/mol
Exact Mass499.95
IUPAC Name4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)cc2)cc1
InChIInChI=1S/C25H14Br2N2/c26-19-7-11-24-22(13-19)23-14-20(27)8-12-25(23)29(24)21-9-5-18(6-10-21)17-3-1-16(15-28)2-4-17/h1-14H
InChIKeySJHZSRXLJFPBAC-UHFFFAOYSA-N
XLogP7.85
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.21
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-bromobenzonitrile;4-(9-phenylcarbazol-3-yl)benzonitrile;(9-phenylcarbazol-3-yl)boronic acid
CID 157177412
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile
CID 122498912
4-[4-[tris[4-(3,6-dimethoxycarbazol-9-yl)phenyl]methyl]phenyl]benzonitrile
CID 122429682
9-(4-bromophenyl)-3,6-diethynylcarbazole
CID 25185238
4-(3,6-dibromocarbazol-9-yl)benzenediazonium
CID 122390307

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile (CID 118632511) is 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)cc2)cc1.
What is the InChIKey of 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is SJHZSRXLJFPBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2N2/c26-19-7-11-24-22(13-19)23-14-20(27)8-12-25(23)29(24)21-9-5-18(6-10-21)17-3-1-16(15-28)2-4-17/h1-14H.
What are the key properties of 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile?
4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 502.21 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 118632511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).