4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

C70H54N4S2 — CID 59469925

About 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 59469925) has the molecular formula C70H54N4S2 and a molecular weight of 1015.36 g/mol. Its IUPAC name is 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
• PubChem CID: 59469925
• Molecular Formula: C70H54N4S2
• Molecular Weight: 1015.36 g/mol
• Exact Mass: 1014.38
• IUPAC Name: 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
• SMILES: Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(C)s6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1
• InChI: InChI=1S/C70H54N4S2/c1-51-23-49-69(75-51)55-29-37-63(38-30-55)73(67-45-41-65(42-46-67)71(57-15-7-3-8-16-57)58-17-9-4-10-18-58)61-33-25-53(26-34-61)54-27-35-62(36-28-54)74(64-39-31-56(32-40-64)70-50-24-52(2)76-70)68-47-43-66(44-48-68)72(59-19-11-5-12-20-59)60-21-13-6-14-22-60/h3-50H,1-2H3
• InChIKey: UHAXYJKYRFITAG-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 12.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.36
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?

The IUPAC name of 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (CID 59469925) is 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.

What is the SMILES notation for 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?

The canonical SMILES for 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(C)s6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1.

What is the InChIKey of 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?

The InChIKey is UHAXYJKYRFITAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N4S2/c1-51-23-49-69(75-51)55-29-37-63(38-30-55)73(67-45-41-65(42-46-67)71(57-15-7-3-8-16-57)58-17-9-4-10-18-58)61-33-25-53(26-34-61)54-27-35-62(36-28-54)74(64-39-31-56(32-40-64)70-50-24-52(2)76-70)68-47-43-66(44-48-68)72(59-19-11-5-12-20-59)60-21-13-6-14-22-60/h3-50H,1-2H3.

What are the key properties of 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?

4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 1015.36 g/mol, XLogP of 21.31, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 59469925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).