N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine

C74H70N4 — CID 155149454

About N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine

N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine (PubChem CID 155149454) has the molecular formula C74H70N4 and a molecular weight of 1015.40 g/mol. Its IUPAC name is N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine
• PubChem CID: 155149454
• Molecular Formula: C74H70N4
• Molecular Weight: 1015.40 g/mol
• Exact Mass: 1014.56
• IUPAC Name: N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine
• SMILES: C/C=C\C(=C/CC)n1c2c(c3cc(N(c4ccc(-c5ccc(N(c6ccc(C7C=CC=CC7)cc6)c6ccc7c(c6)C6CCC=CC6N7C6C=CC=CC6)cc5)cc4)c4ccc(C5C=CC=CC5C)cc4)ccc31)C=CCC2
• InChI: InChI=1S/C74H70N4/c1-4-18-58(19-5-2)77-71-28-16-14-26-67(71)69-50-65(46-48-73(69)77)76(63-44-36-57(37-45-63)66-25-13-12-20-52(66)3)62-42-34-56(35-43-62)55-32-40-61(41-33-55)75(60-38-30-54(31-39-60)53-21-8-6-9-22-53)64-47-49-74-70(51-64)68-27-15-17-29-72(68)78(74)59-23-10-7-11-24-59/h4,6-14,17-21,23,25-26,29-53,59,66,68,72H,5,15-16,22,24,27-28H2,1-3H3/b18-4-,58-19+
• InChIKey: DSGTUESTPUXJLN-IIKPEINYSA-N
• XLogP: 19.99
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.40
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine?

The IUPAC name of N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine (CID 155149454) is N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine.

What is the SMILES notation for N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine?

The canonical SMILES for N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine is C/C=C\C(=C/CC)n1c2c(c3cc(N(c4ccc(-c5ccc(N(c6ccc(C7C=CC=CC7)cc6)c6ccc7c(c6)C6CCC=CC6N7C6C=CC=CC6)cc5)cc4)c4ccc(C5C=CC=CC5C)cc4)ccc31)C=CCC2.

What is the InChIKey of N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine?

The InChIKey is DSGTUESTPUXJLN-IIKPEINYSA-N. The full InChI is InChI=1S/C74H70N4/c1-4-18-58(19-5-2)77-71-28-16-14-26-67(71)69-50-65(46-48-73(69)77)76(63-44-36-57(37-45-63)66-25-13-12-20-52(66)3)62-42-34-56(35-43-62)55-32-40-61(41-33-55)75(60-38-30-54(31-39-60)53-21-8-6-9-22-53)64-47-49-74-70(51-64)68-27-15-17-29-72(68)78(74)59-23-10-7-11-24-59/h4,6-14,17-21,23,25-26,29-53,59,66,68,72H,5,15-16,22,24,27-28H2,1-3H3/b18-4-,58-19+.

What are the key properties of N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine?

N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine has a molecular weight of 1015.40 g/mol, XLogP of 19.99, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-2,4-dien-1-yl-4b,5,6,8a-tetrahydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-7,8-dihydrocarbazol-3-amine is sourced from PubChem (CID 155149454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).