9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole

C34H35N — CID 153369792

IUPAC9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc(C)c(C(/C=C\CC)=C(C)C)c3)ccc21
InChIInChI=1S/C34H35N/c1-7-10-15-29(24(4)5)31-22-26(19-18-25(31)6)27-20-21-34-32(23-27)30-16-11-12-17-33(30)35(34)28(13-8-2)14-9-3/h8-23H,2,7H2,1,3-6H3/b14-9-,15-10-,28-13+
InChIKeyQGUSSNYUTKBUMU-DDEZCVCMSA-N
MW457.66 g/mol
LogP10.13
Rot. Bonds7

About 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole (PubChem CID 153369792) has the molecular formula C34H35N and a molecular weight of 457.66 g/mol. Its IUPAC name is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole
PubChem CID153369792
Molecular FormulaC34H35N
Molecular Weight457.66 g/mol
Exact Mass457.28
IUPAC Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc(C)c(C(/C=C\CC)=C(C)C)c3)ccc21
InChIInChI=1S/C34H35N/c1-7-10-15-29(24(4)5)31-22-26(19-18-25(31)6)27-20-21-34-32(23-27)30-16-11-12-17-33(30)35(34)28(13-8-2)14-9-3/h8-23H,2,7H2,1,3-6H3/b14-9-,15-10-,28-13+
InChIKeyQGUSSNYUTKBUMU-DDEZCVCMSA-N
XLogP10.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 510.13
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

3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144645714
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole
CID 143924149
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
buta-1,3-diene;3-ethyl-6-[4-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 145212546
CID 174098939
CID 174098939
1-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]-N-methyl-3,3-diphenylprop-2-en-1-imine
CID 144956035
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
4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 146535446
3-[4-[2-ethenyl-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9-naphthalen-2-ylcarbazole
CID 145381399
N-[(1E,3Z)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]penta-1,3-dienyl]methanimine
CID 139538566
3-ethyl-6-[4-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 145212547

Frequently Asked Questions

What is the IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole?
The IUPAC name of 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) is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole is C=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc(C)c(C(/C=C\CC)=C(C)C)c3)ccc21.
What is the InChIKey of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole?
The InChIKey is QGUSSNYUTKBUMU-DDEZCVCMSA-N. The full InChI is InChI=1S/C34H35N/c1-7-10-15-29(24(4)5)31-22-26(19-18-25(31)6)27-20-21-34-32(23-27)30-16-11-12-17-33(30)35(34)28(13-8-2)14-9-3/h8-23H,2,7H2,1,3-6H3/b14-9-,15-10-,28-13+.
What are the key properties of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole?
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole has a molecular weight of 457.66 g/mol, XLogP of 10.13, 7 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-[4-methyl-3-[(4Z)-2-methylhepta-2,4-dien-3-yl]phenyl]carbazole is sourced from PubChem (CID 153369792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).