5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole

C25H20BrN — CID 146177448

IUPAC5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole
SMILESCC1CC=CC=C1c1ccc2c(c1)c1c(Br)cccc1n2-c1ccccc1
InChIInChI=1S/C25H20BrN/c1-17-8-5-6-11-20(17)18-14-15-23-21(16-18)25-22(26)12-7-13-24(25)27(23)19-9-3-2-4-10-19/h2-7,9-17H,8H2,1H3
InChIKeyFEVVLJXLTCHWNH-UHFFFAOYSA-N
MW414.35 g/mol
LogP7.53
Rot. Bonds2

About 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole

5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole (PubChem CID 146177448) has the molecular formula C25H20BrN and a molecular weight of 414.35 g/mol. Its IUPAC name is 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole
PubChem CID146177448
Molecular FormulaC25H20BrN
Molecular Weight414.35 g/mol
Exact Mass413.08
IUPAC Name5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole
SMILESCC1CC=CC=C1c1ccc2c(c1)c1c(Br)cccc1n2-c1ccccc1
InChIInChI=1S/C25H20BrN/c1-17-8-5-6-11-20(17)18-14-15-23-21(16-18)25-22(26)12-7-13-24(25)27(23)19-9-3-2-4-10-19/h2-7,9-17H,8H2,1H3
InChIKeyFEVVLJXLTCHWNH-UHFFFAOYSA-N
XLogP7.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-[3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144956732
2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118476390
2-(6-methylcyclohexa-1,3-dien-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 166969654
3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 164756576
4-[5-[3-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-7H-indolo[2,3-b]carbazol-2-yl]-N,2-diphenylaniline
CID 121344049
10-[9-[2-[2-(6-methylcyclohexa-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]quinazolin-4-yl]dibenzothiophen-2-yl]-7-phenylbenzo[c]carbazole
CID 166905212
3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
CID 145218205
10-[4-(9-bromodibenzofuran-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 134595020
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
11-bromo-5-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
CID 174168470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole?
The IUPAC name of 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole (CID 146177448) is 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole.
What is the SMILES notation for 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole?
The canonical SMILES for 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole is CC1CC=CC=C1c1ccc2c(c1)c1c(Br)cccc1n2-c1ccccc1.
What is the InChIKey of 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole?
The InChIKey is FEVVLJXLTCHWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN/c1-17-8-5-6-11-20(17)18-14-15-23-21(16-18)25-22(26)12-7-13-24(25)27(23)19-9-3-2-4-10-19/h2-7,9-17H,8H2,1H3.
What are the key properties of 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole?
5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole has a molecular weight of 414.35 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole is sourced from PubChem (CID 146177448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).