2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole

C36H24BrN — CID 118337067

IUPAC2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
SMILESBrc1ccc(-c2ccc(-c3ccccc3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H24BrN/c37-29-19-15-26(16-20-29)31-21-17-27(25-9-3-1-4-10-25)23-34(31)28-18-22-33-32-13-7-8-14-35(32)38(36(33)24-28)30-11-5-2-6-12-30/h1-24H
InChIKeyFDNQMNNKBZLDFG-UHFFFAOYSA-N
MW550.50 g/mol
LogP10.55
Rot. Bonds4

About 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole

2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole (PubChem CID 118337067) has the molecular formula C36H24BrN and a molecular weight of 550.50 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
PubChem CID118337067
Molecular FormulaC36H24BrN
Molecular Weight550.50 g/mol
Exact Mass549.11
IUPAC Name2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
SMILESBrc1ccc(-c2ccc(-c3ccccc3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H24BrN/c37-29-19-15-26(16-20-29)31-21-17-27(25-9-3-1-4-10-25)23-34(31)28-18-22-33-32-13-7-8-14-35(32)38(36(33)24-28)30-11-5-2-6-12-30/h1-24H
InChIKeyFDNQMNNKBZLDFG-UHFFFAOYSA-N
XLogP10.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.50
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole
CID 144892729
2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole
CID 118265947
2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole
CID 118349518
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943813
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole?
The IUPAC name of 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole (CID 118337067) is 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole is Brc1ccc(-c2ccc(-c3ccccc3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole?
The InChIKey is FDNQMNNKBZLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrN/c37-29-19-15-26(16-20-29)31-21-17-27(25-9-3-1-4-10-25)23-34(31)28-18-22-33-32-13-7-8-14-35(32)38(36(33)24-28)30-11-5-2-6-12-30/h1-24H.
What are the key properties of 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole?
2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole has a molecular weight of 550.50 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 118337067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).