9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole

C22H21N — CID 171596836

IUPAC9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole
SMILESC=C(/C=C\C)C(=C)/C(=C\C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H21N/c1-5-11-16(3)17(4)20(6-2)23-21-14-9-7-12-18(21)19-13-8-10-15-22(19)23/h5-15H,3-4H2,1-2H3/b11-5-,20-6+
InChIKeyRKWXMMGDOTXLFV-AGZPBZAGSA-N
MW299.42 g/mol
LogP6.34
Rot. Bonds4

About 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole

9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole (PubChem CID 171596836) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole.

Molecular Properties

Compound Name9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole
PubChem CID171596836
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole
SMILESC=C(/C=C\C)C(=C)/C(=C\C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H21N/c1-5-11-16(3)17(4)20(6-2)23-21-14-9-7-12-18(21)19-13-8-10-15-22(19)23/h5-15H,3-4H2,1-2H3/b11-5-,20-6+
InChIKeyRKWXMMGDOTXLFV-AGZPBZAGSA-N
XLogP6.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.34
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

2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole
CID 137447929
(Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide
CID 143224433
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130181076
9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
CID 144541208
9-hepta-2,4,6-trien-2-ylcarbazole
CID 123951292
4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 146535446
N-[(1E,3Z)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]penta-1,3-dienyl]methanimine
CID 139538566
1-carbazol-9-ylethanone;ethane
CID 142183368
CID 174098939
CID 174098939
10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 134188138

Frequently Asked Questions

What is the IUPAC name of 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole?
The IUPAC name of 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole (CID 171596836) is 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole.
What is the SMILES notation for 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole?
The canonical SMILES for 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole is C=C(/C=C\C)C(=C)/C(=C\C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole?
The InChIKey is RKWXMMGDOTXLFV-AGZPBZAGSA-N. The full InChI is InChI=1S/C22H21N/c1-5-11-16(3)17(4)20(6-2)23-21-14-9-7-12-18(21)19-13-8-10-15-22(19)23/h5-15H,3-4H2,1-2H3/b11-5-,20-6+.
What are the key properties of 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole?
9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole has a molecular weight of 299.42 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,6Z)-4,5-dimethylideneocta-2,6-dien-3-yl]carbazole is sourced from PubChem (CID 171596836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).