2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine

C84H60N4 — CID 58251500

About 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine

2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine (PubChem CID 58251500) has the molecular formula C84H60N4 and a molecular weight of 1125.43 g/mol. Its IUPAC name is 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine
• PubChem CID: 58251500
• Molecular Formula: C84H60N4
• Molecular Weight: 1125.43 g/mol
• Exact Mass: 1124.48
• IUPAC Name: 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3cccc4ccccc34)c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3cccc4ccccc34)c(N(c3ccccc3)c3cccc4ccccc34)c2)cc1
• InChI: InChI=1S/C84H60N4/c1-7-28-61(29-8-1)67-52-55-79(82(58-67)85(70-40-13-4-14-41-70)76-49-25-37-64-34-19-22-46-73(64)76)88(80-56-53-68(62-30-9-2-10-31-62)59-83(80)86(71-42-15-5-16-43-71)77-50-26-38-65-35-20-23-47-74(65)77)81-57-54-69(63-32-11-3-12-33-63)60-84(81)87(72-44-17-6-18-45-72)78-51-27-39-66-36-21-24-48-75(66)78/h1-60H
• InChIKey: FMZPBQORTXPVLJ-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.43
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine?

The IUPAC name of 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine (CID 58251500) is 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine.

What is the SMILES notation for 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine?

The canonical SMILES for 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3cccc4ccccc34)c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3cccc4ccccc34)c(N(c3ccccc3)c3cccc4ccccc34)c2)cc1.

What is the InChIKey of 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine?

The InChIKey is FMZPBQORTXPVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N4/c1-7-28-61(29-8-1)67-52-55-79(82(58-67)85(70-40-13-4-14-41-70)76-49-25-37-64-34-19-22-46-73(64)76)88(80-56-53-68(62-30-9-2-10-31-62)59-83(80)86(71-42-15-5-16-43-71)77-50-26-38-65-35-20-23-47-74(65)77)81-57-54-69(63-32-11-3-12-33-63)60-84(81)87(72-44-17-6-18-45-72)78-51-27-39-66-36-21-24-48-75(66)78/h1-60H.

What are the key properties of 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine?

2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine has a molecular weight of 1125.43 g/mol, XLogP of 24.03, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine is sourced from PubChem (CID 58251500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).