9-hepta-2,4,6-trien-2-ylcarbazole

C19H17N — CID 123951292

IUPAC9-hepta-2,4,6-trien-2-ylcarbazole
SMILESC=CC=CC=C(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H17N/c1-3-4-5-10-15(2)20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h3-14H,1H2,2H3
InChIKeyAEDWZLCIUMMZER-UHFFFAOYSA-N
MW259.35 g/mol
LogP5.40
Rot. Bonds3

About 9-hepta-2,4,6-trien-2-ylcarbazole

9-hepta-2,4,6-trien-2-ylcarbazole (PubChem CID 123951292) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 9-hepta-2,4,6-trien-2-ylcarbazole.

Molecular Properties

Compound Name9-hepta-2,4,6-trien-2-ylcarbazole
PubChem CID123951292
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name9-hepta-2,4,6-trien-2-ylcarbazole
SMILESC=CC=CC=C(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H17N/c1-3-4-5-10-15(2)20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h3-14H,1H2,2H3
InChIKeyAEDWZLCIUMMZER-UHFFFAOYSA-N
XLogP5.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine
CID 89037399
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 167057938
3-[9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]carbazol-3-yl]-9-[(E)-1-[2-[1-(3-phenylphenyl)ethenyl]-1-benzothiophen-3-yl]prop-1-en-2-yl]carbazole
CID 134569651
3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-9-methylpyrido[3,4-b]indole
CID 134402088
4-[3-[3-[5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]pyrido[3,2-b]indol-2-yl]carbazol-9-yl]phenyl]-N,N-diphenylaniline
CID 154932509
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]carbazole
CID 166736645
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]carbazol-3-yl]phenyl]pyridin-2-amine
CID 129306635
[(1E,3E)-4-carbazol-9-yl-1-iodopenta-1,3-dien-2-yl] prop-2-enoate
CID 167193129
N-[(1Z)-1-carbazol-9-ylbuta-1,3-dienyl]methanimidoyl bromide
CID 163417941
1-carbazol-9-ylethanone;ethane
CID 142183368
N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine
CID 129103361
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 9-hepta-2,4,6-trien-2-ylcarbazole?
The IUPAC name of 9-hepta-2,4,6-trien-2-ylcarbazole (CID 123951292) is 9-hepta-2,4,6-trien-2-ylcarbazole.
What is the SMILES notation for 9-hepta-2,4,6-trien-2-ylcarbazole?
The canonical SMILES for 9-hepta-2,4,6-trien-2-ylcarbazole is C=CC=CC=C(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-hepta-2,4,6-trien-2-ylcarbazole?
The InChIKey is AEDWZLCIUMMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-3-4-5-10-15(2)20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h3-14H,1H2,2H3.
What are the key properties of 9-hepta-2,4,6-trien-2-ylcarbazole?
9-hepta-2,4,6-trien-2-ylcarbazole has a molecular weight of 259.35 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hepta-2,4,6-trien-2-ylcarbazole is sourced from PubChem (CID 123951292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).