1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine

C80H64N4S2 — CID 88567821

About 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine

1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine (PubChem CID 88567821) has the molecular formula C80H64N4S2 and a molecular weight of 1145.55 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
• PubChem CID: 88567821
• Molecular Formula: C80H64N4S2
• Molecular Weight: 1145.55 g/mol
• Exact Mass: 1144.46
• IUPAC Name: 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(N(c8ccc(-c9ccc(-c%10ccccc%10)s9)cc8)C8CCCCC8)cc7)cc6)cc5)cc4)cc3)s2)cc1
• InChI: InChI=1S/C80H64N4S2/c1-7-19-61(20-8-1)77-55-57-79(85-77)63-35-43-71(44-36-63)83(67-27-15-5-16-28-67)75-51-47-73(48-52-75)81(65-23-11-3-12-24-65)69-39-31-59(32-40-69)60-33-41-70(42-34-60)82(66-25-13-4-14-26-66)74-49-53-76(54-50-74)84(68-29-17-6-18-30-68)72-45-37-64(38-46-72)80-58-56-78(86-80)62-21-9-2-10-22-62/h1-5,7-16,19-28,31-58,68H,6,17-18,29-30H2
• InChIKey: JNQNFCMSHVMUBS-UHFFFAOYSA-N
• XLogP: 24.02
• TPSA: 12.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.55
LogP ≤ 5	24.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine?

The IUPAC name of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine (CID 88567821) is 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine.

What is the SMILES notation for 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine?

The canonical SMILES for 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(N(c8ccc(-c9ccc(-c%10ccccc%10)s9)cc8)C8CCCCC8)cc7)cc6)cc5)cc4)cc3)s2)cc1.

What is the InChIKey of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine?

The InChIKey is JNQNFCMSHVMUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H64N4S2/c1-7-19-61(20-8-1)77-55-57-79(85-77)63-35-43-71(44-36-63)83(67-27-15-5-16-28-67)75-51-47-73(48-52-75)81(65-23-11-3-12-24-65)69-39-31-59(32-40-69)60-33-41-70(42-34-60)82(66-25-13-4-14-26-66)74-49-53-76(54-50-74)84(68-29-17-6-18-30-68)72-45-37-64(38-46-72)80-58-56-78(86-80)62-21-9-2-10-22-62/h1-5,7-16,19-28,31-58,68H,6,17-18,29-30H2.

What are the key properties of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine?

1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine has a molecular weight of 1145.55 g/mol, XLogP of 24.02, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 88567821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).