2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole

C18H11BrClN3 — CID 155734117

IUPAC2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole
SMILESClc1cc2nn(-c3ccc(Br)cc3)nc2cc1-c1ccccc1
InChIInChI=1S/C18H11BrClN3/c19-13-6-8-14(9-7-13)23-21-17-10-15(12-4-2-1-3-5-12)16(20)11-18(17)22-23/h1-11H
InChIKeyXPLXXJOOPFZQCF-UHFFFAOYSA-N
MW384.66 g/mol
LogP5.50
Rot. Bonds2

About 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole

2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole (PubChem CID 155734117) has the molecular formula C18H11BrClN3 and a molecular weight of 384.66 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole
PubChem CID155734117
Molecular FormulaC18H11BrClN3
Molecular Weight384.66 g/mol
Exact Mass382.98
IUPAC Name2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole
SMILESClc1cc2nn(-c3ccc(Br)cc3)nc2cc1-c1ccccc1
InChIInChI=1S/C18H11BrClN3/c19-13-6-8-14(9-7-13)23-21-17-10-15(12-4-2-1-3-5-12)16(20)11-18(17)22-23/h1-11H
InChIKeyXPLXXJOOPFZQCF-UHFFFAOYSA-N
XLogP5.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.66
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-1-phenylbenzene
CID 13457416
4-[4-[4-(5-chloro-6-phenylbenzotriazol-2-yl)phenyl]phenyl]benzonitrile;phenanthren-9-ylboronic acid;4-[4-[4-(5-phenanthren-9-yl-6-phenylbenzotriazol-2-yl)phenyl]phenyl]benzonitrile
CID 164961352
4,5-bis(3-bromophenyl)-2-phenyltriazole
CID 141418930
1,2,4-trichloro-5-phenylbenzene
CID 27514
N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
CID 155316676
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
5-[4-[4-(4-isocyanophenyl)phenyl]phenyl]-2-(4-phenanthren-9-ylphenyl)-6-phenylbenzotriazole
CID 164817879
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
2-(4-bromophenyl)-4,5-dimethyltriazole;ethane
CID 171626210
5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole?
The IUPAC name of 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole (CID 155734117) is 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole?
The canonical SMILES for 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole is Clc1cc2nn(-c3ccc(Br)cc3)nc2cc1-c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole?
The InChIKey is XPLXXJOOPFZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClN3/c19-13-6-8-14(9-7-13)23-21-17-10-15(12-4-2-1-3-5-12)16(20)11-18(17)22-23/h1-11H.
What are the key properties of 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole?
2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole has a molecular weight of 384.66 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole is sourced from PubChem (CID 155734117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).