3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole

C31H24N2 — CID 144645714

IUPAC3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21
InChIInChI=1S/C31H24N2/c1-3-9-23(10-4-2)33-30-14-8-6-12-25(30)27-20-22(16-18-31(27)33)21-15-17-29-26(19-21)24-11-5-7-13-28(24)32-29/h3-20,32H,1H2,2H3/b10-4-,23-9+
InChIKeyFRTYXYIPQFSSIU-HRNUFRLCSA-N
MW424.55 g/mol
LogP8.70
Rot. Bonds4

About 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole

3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole (PubChem CID 144645714) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
PubChem CID144645714
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21
InChIInChI=1S/C31H24N2/c1-3-9-23(10-4-2)33-30-14-8-6-12-25(30)27-20-22(16-18-31(27)33)21-15-17-29-26(19-21)24-11-5-7-13-28(24)32-29/h3-20,32H,1H2,2H3/b10-4-,23-9+
InChIKeyFRTYXYIPQFSSIU-HRNUFRLCSA-N
XLogP8.70
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole
CID 145126088
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
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
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole
CID 143924149
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
CID 167223078
3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
CID 129225827
CID 174098939
CID 174098939
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole (CID 144645714) is 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole is C=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The InChIKey is FRTYXYIPQFSSIU-HRNUFRLCSA-N. The full InChI is InChI=1S/C31H24N2/c1-3-9-23(10-4-2)33-30-14-8-6-12-25(30)27-20-22(16-18-31(27)33)21-15-17-29-26(19-21)24-11-5-7-13-28(24)32-29/h3-20,32H,1H2,2H3/b10-4-,23-9+.
What are the key properties of 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole has a molecular weight of 424.55 g/mol, XLogP of 8.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole is sourced from PubChem (CID 144645714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).