4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine

C141H120N6 — CID 158814514

About 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine

4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine (PubChem CID 158814514) has the molecular formula C141H120N6 and a molecular weight of 1898.55 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine
• PubChem CID: 158814514
• Molecular Formula: C141H120N6
• Molecular Weight: 1898.55 g/mol
• Exact Mass: 1896.96
• IUPAC Name: 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine
• SMILES: C=C/C(=C\C=C\N(C(=C)/C=C\C1=CC(C)(C)C/C1=C\C=C(/C)n1c2ccccc2c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21)c1ccc(C2C=CC=CC2)cc1)c1ccccc1.C=C/C=C\C=C\c1ccc(N(/C(C=C)=C/C=C/c2ccccc2)c2ccc(N(C3=CCCC=C3)c3ccc(/C(C=C)=C/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C75H65N3.C66H55N3/c1-6-57(58-22-11-7-12-23-58)26-21-51-76(67-46-41-61(42-47-67)59-24-13-8-14-25-59)55(2)33-35-65-53-75(4,5)54-66(65)36-34-56(3)77-73-32-20-19-31-71(73)72-52-64(45-50-74(72)77)63-39-37-60(38-40-63)62-43-48-70(49-44-62)78(68-27-15-9-16-28-68)69-29-17-10-18-30-69;1-4-7-8-12-25-52-36-41-59(42-37-52)67(56(6-3)33-22-26-51-23-13-9-14-24-51)61-45-47-62(48-46-61)68(57-29-15-10-16-30-57)60-43-39-55(40-44-60)54(5-2)28-21-27-53-38-49-66-64(50-53)63-34-19-20-35-65(63)69(66)58-31-17-11-18-32-58/h6-24,26-53,59H,1-2,25,54H2,3-5H3;4-9,11-15,17-50H,1-3,10,16H2/b35-33-,51-21+,56-34+,57-26+,66-36+;8-7-,25-12+,26-22+,27-21+,54-28+,56-33+
• InChIKey: IVCHMVXQISHGDN-OCSGZBTGSA-N
• XLogP: 38.82
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 33
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1898.55
LogP ≤ 5	38.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine?

The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine (CID 158814514) is 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine.

What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine?

The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine is C=C/C(=C\C=C\N(C(=C)/C=C\C1=CC(C)(C)C/C1=C\C=C(/C)n1c2ccccc2c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21)c1ccc(C2C=CC=CC2)cc1)c1ccccc1.C=C/C=C\C=C\c1ccc(N(/C(C=C)=C/C=C/c2ccccc2)c2ccc(N(C3=CCCC=C3)c3ccc(/C(C=C)=C/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine?

The InChIKey is IVCHMVXQISHGDN-OCSGZBTGSA-N. The full InChI is InChI=1S/C75H65N3.C66H55N3/c1-6-57(58-22-11-7-12-23-58)26-21-51-76(67-46-41-61(42-47-67)59-24-13-8-14-25-59)55(2)33-35-65-53-75(4,5)54-66(65)36-34-56(3)77-73-32-20-19-31-71(73)72-52-64(45-50-74(72)77)63-39-37-60(38-40-63)62-43-48-70(49-44-62)78(68-27-15-9-16-28-68)69-29-17-10-18-30-69;1-4-7-8-12-25-52-36-41-59(42-37-52)67(56(6-3)33-22-26-51-23-13-9-14-24-51)61-45-47-62(48-46-61)68(57-29-15-10-16-30-57)60-43-39-55(40-44-60)54(5-2)28-21-27-53-38-49-66-64(50-53)63-34-19-20-35-65(63)69(66)58-31-17-11-18-32-58/h6-24,26-53,59H,1-2,25,54H2,3-5H3;4-9,11-15,17-50H,1-3,10,16H2/b35-33-,51-21+,56-34+,57-26+,66-36+;8-7-,25-12+,26-22+,27-21+,54-28+,56-33+.

What are the key properties of 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine?

4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine has a molecular weight of 1898.55 g/mol, XLogP of 38.82, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexa-2,4-dien-1-yl-N-[(3Z)-4-[(5E)-3,3-dimethyl-5-[(E)-3-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-9-yl]but-2-enylidene]cyclopenten-1-yl]buta-1,3-dien-2-yl]-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]aniline;1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]-1-N-[4-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]phenyl]-4-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]benzene-1,4-diamine is sourced from PubChem (CID 158814514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).