3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole

C30H22BrN — CID 123198502

IUPAC3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C3C=CC=CC3)cc2)cc1
InChIInChI=1S/C30H22BrN/c31-25-15-10-23(11-16-25)24-14-19-30-28(20-24)27-8-4-5-9-29(27)32(30)26-17-12-22(13-18-26)21-6-2-1-3-7-21/h1-6,8-21H,7H2
InChIKeyNRWQWLUKZMUNBR-UHFFFAOYSA-N
MW476.42 g/mol
LogP8.81
Rot. Bonds3

About 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole

3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole (PubChem CID 123198502) has the molecular formula C30H22BrN and a molecular weight of 476.42 g/mol. Its IUPAC name is 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
PubChem CID123198502
Molecular FormulaC30H22BrN
Molecular Weight476.42 g/mol
Exact Mass475.09
IUPAC Name3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C3C=CC=CC3)cc2)cc1
InChIInChI=1S/C30H22BrN/c31-25-15-10-23(11-16-25)24-14-19-30-28(20-24)27-8-4-5-9-29(27)32(30)26-17-12-22(13-18-26)21-6-2-1-3-7-21/h1-6,8-21H,7H2
InChIKeyNRWQWLUKZMUNBR-UHFFFAOYSA-N
XLogP8.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole?
The IUPAC name of 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole (CID 123198502) is 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole.
What is the SMILES notation for 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole?
The canonical SMILES for 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole is Brc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C3C=CC=CC3)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole?
The InChIKey is NRWQWLUKZMUNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrN/c31-25-15-10-23(11-16-25)24-14-19-30-28(20-24)27-8-4-5-9-29(27)32(30)26-17-12-22(13-18-26)21-6-2-1-3-7-21/h1-6,8-21H,7H2.
What are the key properties of 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole?
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole has a molecular weight of 476.42 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole is sourced from PubChem (CID 123198502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).