3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole

C31H24BrN — CID 129136426

IUPAC3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole
SMILESC=C(/C=C(\C=C(/C)c1ccccc1)c1ccccc1)n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C31H24BrN/c1-22(24-11-5-3-6-12-24)19-26(25-13-7-4-8-14-25)20-23(2)33-30-16-10-9-15-28(30)29-21-27(32)17-18-31(29)33/h3-21H,2H2,1H3/b22-19+,26-20+
InChIKeyGOXQIKUCBZEIKH-ICVJNYQFSA-N
MW490.44 g/mol
LogP9.21
Rot. Bonds5

About 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole

3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole (PubChem CID 129136426) has the molecular formula C31H24BrN and a molecular weight of 490.44 g/mol. Its IUPAC name is 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole
PubChem CID129136426
Molecular FormulaC31H24BrN
Molecular Weight490.44 g/mol
Exact Mass489.11
IUPAC Name3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole
SMILESC=C(/C=C(\C=C(/C)c1ccccc1)c1ccccc1)n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C31H24BrN/c1-22(24-11-5-3-6-12-24)19-26(25-13-7-4-8-14-25)20-23(2)33-30-16-10-9-15-28(30)29-21-27(32)17-18-31(29)33/h3-21H,2H2,1H3/b22-19+,26-20+
InChIKeyGOXQIKUCBZEIKH-ICVJNYQFSA-N
XLogP9.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.44
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole 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

[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene
CID 126595609
CID 147627416
CID 147627416
9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
CID 146541574
1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
9-[4-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]phenyl]-1,2-dihydrocarbazole
CID 144976701
3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
CID 102125302
N-(1-carbazol-9-ylethenyl)-1-phenylethanimine
CID 174072422
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole
CID 170372022
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
CID 145017127
3-[9-[(2E,4E)-5-phenylhepta-2,4,6-trien-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 155119518

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole?
The IUPAC name of 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole (CID 129136426) is 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole.
What is the SMILES notation for 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole?
The canonical SMILES for 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole is C=C(/C=C(\C=C(/C)c1ccccc1)c1ccccc1)n1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole?
The InChIKey is GOXQIKUCBZEIKH-ICVJNYQFSA-N. The full InChI is InChI=1S/C31H24BrN/c1-22(24-11-5-3-6-12-24)19-26(25-13-7-4-8-14-25)20-23(2)33-30-16-10-9-15-28(30)29-21-27(32)17-18-31(29)33/h3-21H,2H2,1H3/b22-19+,26-20+.
What are the key properties of 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole?
3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole has a molecular weight of 490.44 g/mol, XLogP of 9.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole is sourced from PubChem (CID 129136426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).