(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine

C30H24N2 — CID 129022099

IUPAC(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/N)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C30H24N2/c1-22(9-7-8-20-31)23-14-16-24(17-15-23)25-18-19-30-28(21-25)27-12-5-6-13-29(27)32(30)26-10-3-2-4-11-26/h2-21H,1,31H2/b9-7-,20-8-
InChIKeyLWGNPMGEJOYAHN-QBUQJMDQSA-N
MW412.54 g/mol
LogP7.49
Rot. Bonds5

About (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine

(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine (PubChem CID 129022099) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine
PubChem CID129022099
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/N)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C30H24N2/c1-22(9-7-8-20-31)23-14-16-24(17-15-23)25-18-19-30-28(21-25)27-12-5-6-13-29(27)32(30)26-10-3-2-4-11-26/h2-21H,1,31H2/b9-7-,20-8-
InChIKeyLWGNPMGEJOYAHN-QBUQJMDQSA-N
XLogP7.49
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]hexa-1,3,5-trien-2-yl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 76816177
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine (CID 129022099) is (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine is C=C(/C=C\C=C/N)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine?
The InChIKey is LWGNPMGEJOYAHN-QBUQJMDQSA-N. The full InChI is InChI=1S/C30H24N2/c1-22(9-7-8-20-31)23-14-16-24(17-15-23)25-18-19-30-28(21-25)27-12-5-6-13-29(27)32(30)26-10-3-2-4-11-26/h2-21H,1,31H2/b9-7-,20-8-.
What are the key properties of (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine has a molecular weight of 412.54 g/mol, XLogP of 7.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 129022099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).