1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine

C66H60N4 — CID 88941579

About 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine

1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (PubChem CID 88941579) has the molecular formula C66H60N4 and a molecular weight of 909.23 g/mol. Its IUPAC name is 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
• PubChem CID: 88941579
• Molecular Formula: C66H60N4
• Molecular Weight: 909.23 g/mol
• Exact Mass: 908.48
• IUPAC Name: 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
• SMILES: CC1=CCC(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)C=C1
• InChI: InChI=1S/C66H60N4/c1-47-7-23-55(24-8-47)67(56-25-9-48(2)10-26-56)63-39-43-65(44-40-63)69(59-31-15-51(5)16-32-59)61-35-19-53(20-36-61)54-21-37-62(38-22-54)70(60-33-17-52(6)18-34-60)66-45-41-64(42-46-66)68(57-27-11-49(3)12-28-57)58-29-13-50(4)14-30-58/h7-33,35-46,60H,34H2,1-6H3
• InChIKey: IGWXXCHLUHESEB-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.23
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?

The IUPAC name of 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (CID 88941579) is 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?

The canonical SMILES for 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is CC1=CCC(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)C=C1.

What is the InChIKey of 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?

The InChIKey is IGWXXCHLUHESEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N4/c1-47-7-23-55(24-8-47)67(56-25-9-48(2)10-26-56)63-39-43-65(44-40-63)69(59-31-15-51(5)16-32-59)61-35-19-53(20-36-61)54-21-37-62(38-22-54)70(60-33-17-52(6)18-34-60)66-45-41-64(42-46-66)68(57-27-11-49(3)12-28-57)58-29-13-50(4)14-30-58/h7-33,35-46,60H,34H2,1-6H3.

What are the key properties of 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?

1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 909.23 g/mol, XLogP of 18.72, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 88941579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).