3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole

C32H27N — CID 143904791

IUPAC3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole
SMILESC/C=C\C=C/C=C/c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc(C)cc1
InChIInChI=1S/C32H27N/c1-3-4-5-6-8-11-25-16-20-31-29(22-25)30-23-27(26-12-9-7-10-13-26)17-21-32(30)33(31)28-18-14-24(2)15-19-28/h3-23H,1-2H3/b4-3-,6-5-,11-8+
InChIKeyJAUMUXCCKVSXRV-MRTAMQALSA-N
MW425.58 g/mol
LogP8.90
Rot. Bonds5

About 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole

3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole (PubChem CID 143904791) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole.

Molecular Properties

Compound Name3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole
PubChem CID143904791
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC Name3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole
SMILESC/C=C\C=C/C=C/c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc(C)cc1
InChIInChI=1S/C32H27N/c1-3-4-5-6-8-11-25-16-20-31-29(22-25)30-23-27(26-12-9-7-10-13-26)17-21-32(30)33(31)28-18-14-24(2)15-19-28/h3-23H,1-2H3/b4-3-,6-5-,11-8+
InChIKeyJAUMUXCCKVSXRV-MRTAMQALSA-N
XLogP8.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 58.90
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-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
11-[3-[(1E,3E,5Z)-hepta-1,3,5-trienyl]-6-phenylcarbazol-9-yl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 131743759
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole?
The IUPAC name of 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole (CID 143904791) is 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole.
What is the SMILES notation for 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole?
The canonical SMILES for 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole is C/C=C\C=C/C=C/c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc(C)cc1.
What is the InChIKey of 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole?
The InChIKey is JAUMUXCCKVSXRV-MRTAMQALSA-N. The full InChI is InChI=1S/C32H27N/c1-3-4-5-6-8-11-25-16-20-31-29(22-25)30-23-27(26-12-9-7-10-13-26)17-21-32(30)33(31)28-18-14-24(2)15-19-28/h3-23H,1-2H3/b4-3-,6-5-,11-8+.
What are the key properties of 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole?
3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole has a molecular weight of 425.58 g/mol, XLogP of 8.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole is sourced from PubChem (CID 143904791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).