3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole

C42H28BrN — CID 118087762

IUPAC3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C42H28BrN/c43-35-23-24-42-40(28-35)39-17-9-10-18-41(39)44(42)36-26-33(31-21-19-30(20-22-31)29-11-3-1-4-12-29)25-34(27-36)38-16-8-7-15-37(38)32-13-5-2-6-14-32/h1-28H
InChIKeyWBYFNXMOYINNFI-UHFFFAOYSA-N
MW626.60 g/mol
LogP12.21
Rot. Bonds5

About 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole

3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole (PubChem CID 118087762) has the molecular formula C42H28BrN and a molecular weight of 626.60 g/mol. Its IUPAC name is 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
PubChem CID118087762
Molecular FormulaC42H28BrN
Molecular Weight626.60 g/mol
Exact Mass625.14
IUPAC Name3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C42H28BrN/c43-35-23-24-42-40(28-35)39-17-9-10-18-41(39)44(42)36-26-33(31-21-19-30(20-22-31)29-11-3-1-4-12-29)25-34(27-36)38-16-8-7-15-37(38)32-13-5-2-6-14-32/h1-28H
InChIKeyWBYFNXMOYINNFI-UHFFFAOYSA-N
XLogP12.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.60
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
CID 118087614
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
3-bromo-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 118087817
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764075
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
9-(3,5-diphenylphenyl)carbazole
CID 86068368
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole (CID 118087762) is 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is WBYFNXMOYINNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28BrN/c43-35-23-24-42-40(28-35)39-17-9-10-18-41(39)44(42)36-26-33(31-21-19-30(20-22-31)29-11-3-1-4-12-29)25-34(27-36)38-16-8-7-15-37(38)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole?
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 626.60 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 118087762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).