1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine

C91H69N7 — CID 58390255

About 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine (PubChem CID 58390255) has the molecular formula C91H69N7 and a molecular weight of 1260.60 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
• PubChem CID: 58390255
• Molecular Formula: C91H69N7
• Molecular Weight: 1260.60 g/mol
• Exact Mass: 1259.56
• IUPAC Name: 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
• SMILES: c1ccc(N=C(c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C91H69N7/c1-10-28-72(29-11-1)92-91(70-46-50-81(51-47-70)97(87-62-54-83(55-63-87)93(73-30-12-2-13-31-73)74-32-14-3-15-33-74)88-64-56-84(57-65-88)94(75-34-16-4-17-35-75)76-36-18-5-19-37-76)71-48-52-82(53-49-71)98(89-66-58-85(59-67-89)95(77-38-20-6-21-39-77)78-40-22-7-23-41-78)90-68-60-86(61-69-90)96(79-42-24-8-25-43-79)80-44-26-9-27-45-80/h1-69H
• InChIKey: CINAMKSMQQZAJF-UHFFFAOYSA-N
• XLogP: 25.67
• TPSA: 31.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1260.60
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine?

The IUPAC name of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine (CID 58390255) is 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine.

What is the SMILES notation for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine?

The canonical SMILES for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine is c1ccc(N=C(c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine?

The InChIKey is CINAMKSMQQZAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H69N7/c1-10-28-72(29-11-1)92-91(70-46-50-81(51-47-70)97(87-62-54-83(55-63-87)93(73-30-12-2-13-31-73)74-32-14-3-15-33-74)88-64-56-84(57-65-88)94(75-34-16-4-17-35-75)76-36-18-5-19-37-76)71-48-52-82(53-49-71)98(89-66-58-85(59-67-89)95(77-38-20-6-21-39-77)78-40-22-7-23-41-78)90-68-60-86(61-69-90)96(79-42-24-8-25-43-79)80-44-26-9-27-45-80/h1-69H.

What are the key properties of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine?

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine has a molecular weight of 1260.60 g/mol, XLogP of 25.67, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 58390255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).