9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole

C21H21N — CID 143924149

IUPAC9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole
SMILESC=C/C=C(\C=C/C)n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C21H21N/c1-5-7-17(8-6-2)22-20-11-9-15(3)13-18(20)19-14-16(4)10-12-21(19)22/h5-14H,1H2,2-4H3/b8-6-,17-7+
InChIKeyRBJZCVZBNXMDBK-BKWQOZAUSA-N
MW287.41 g/mol
LogP6.01
Rot. Bonds3

About 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole (PubChem CID 143924149) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole
PubChem CID143924149
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole
SMILESC=C/C=C(\C=C/C)n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C21H21N/c1-5-7-17(8-6-2)22-20-11-9-15(3)13-18(20)19-14-16(4)10-12-21(19)22/h5-14H,1H2,2-4H3/b8-6-,17-7+
InChIKeyRBJZCVZBNXMDBK-BKWQOZAUSA-N
XLogP6.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.01
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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylcarbazol-3-yl]-diphenylborane
CID 144597046
3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144645714
4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 146535446
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
CID 174098939
CID 174098939
12-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzo[b]carbazol-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145051771
3-(aminomethyl)-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methylquinolin-4-one
CID 163849539
2-[(2E)-2-ethenylpenta-2,4-dienyl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrrolo[3,4-b]indole-7-carboxylic acid
CID 157037004
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole
CID 153369792
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole
CID 134447803
ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 143933879

Frequently Asked Questions

What is the IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole (CID 143924149) is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole is C=C/C=C(\C=C/C)n1c2ccc(C)cc2c2cc(C)ccc21.
What is the InChIKey of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole?
The InChIKey is RBJZCVZBNXMDBK-BKWQOZAUSA-N. The full InChI is InChI=1S/C21H21N/c1-5-7-17(8-6-2)22-20-11-9-15(3)13-18(20)19-14-16(4)10-12-21(19)22/h5-14H,1H2,2-4H3/b8-6-,17-7+.
What are the key properties of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole?
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole has a molecular weight of 287.41 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole is sourced from PubChem (CID 143924149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).