3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole

C42H28BrN — CID 90215090

IUPAC3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H28BrN/c43-37-21-18-31(19-22-37)32-14-9-15-33(24-32)34-20-23-42-40(28-34)39-16-7-8-17-41(39)44(42)38-26-35(29-10-3-1-4-11-29)25-36(27-38)30-12-5-2-6-13-30/h1-28H
InChIKeyBQPWTGOAMUBFGW-UHFFFAOYSA-N
MW626.60 g/mol
LogP12.21
Rot. Bonds5

About 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole

3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole (PubChem CID 90215090) has the molecular formula C42H28BrN and a molecular weight of 626.60 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
PubChem CID90215090
Molecular FormulaC42H28BrN
Molecular Weight626.60 g/mol
Exact Mass625.14
IUPAC Name3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H28BrN/c43-37-21-18-31(19-22-37)32-14-9-15-33(24-32)34-20-23-42-40(28-34)39-16-7-8-17-41(39)44(42)38-26-35(29-10-3-1-4-11-29)25-36(27-38)30-12-5-2-6-13-30/h1-28H
InChIKeyBQPWTGOAMUBFGW-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-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
The IUPAC name of 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole (CID 90215090) is 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole.
What is the SMILES notation for 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
The canonical SMILES for 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole is Brc1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
The InChIKey is BQPWTGOAMUBFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28BrN/c43-37-21-18-31(19-22-37)32-14-9-15-33(24-32)34-20-23-42-40(28-34)39-16-7-8-17-41(39)44(42)38-26-35(29-10-3-1-4-11-29)25-36(27-38)30-12-5-2-6-13-30/h1-28H.
What are the key properties of 3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)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-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 90215090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).