1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine

C78H58N4O — CID 122533758

About 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine

1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine (PubChem CID 122533758) has the molecular formula C78H58N4O and a molecular weight of 1067.35 g/mol. Its IUPAC name is 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
• PubChem CID: 122533758
• Molecular Formula: C78H58N4O
• Molecular Weight: 1067.35 g/mol
• Exact Mass: 1066.46
• IUPAC Name: 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
• SMILES: COc1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)c5ccc6cc(C)ccc6c5)cc4)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C78H58N4O/c1-55-27-28-61-52-72(40-33-60(61)51-55)79(68-42-46-70(47-43-68)81(64-19-5-3-6-20-64)77-25-13-17-58-15-9-11-23-75(58)77)66-36-29-56(30-37-66)57-31-38-67(39-32-57)80(73-41-34-63-54-74(83-2)50-35-62(63)53-73)69-44-48-71(49-45-69)82(65-21-7-4-8-22-65)78-26-14-18-59-16-10-12-24-76(59)78/h3-54H,1-2H3
• InChIKey: FEGXRAWINJXNRY-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.35
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine?

The IUPAC name of 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine (CID 122533758) is 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine.

What is the SMILES notation for 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine?

The canonical SMILES for 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine is COc1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)c5ccc6cc(C)ccc6c5)cc4)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2c1.

What is the InChIKey of 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine?

The InChIKey is FEGXRAWINJXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58N4O/c1-55-27-28-61-52-72(40-33-60(61)51-55)79(68-42-46-70(47-43-68)81(64-19-5-3-6-20-64)77-25-13-17-58-15-9-11-23-75(58)77)66-36-29-56(30-37-66)57-31-38-67(39-32-57)80(73-41-34-63-54-74(83-2)50-35-62(63)53-73)69-44-48-71(49-45-69)82(65-21-7-4-8-22-65)78-26-14-18-59-16-10-12-24-76(59)78/h3-54H,1-2H3.

What are the key properties of 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine?

1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 1067.35 g/mol, XLogP of 22.16, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 122533758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).