1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine

C70H50N4 — CID 87744556

About 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 87744556) has the molecular formula C70H50N4 and a molecular weight of 947.20 g/mol. Its IUPAC name is 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
• PubChem CID: 87744556
• Molecular Formula: C70H50N4
• Molecular Weight: 947.20 g/mol
• Exact Mass: 946.40
• IUPAC Name: 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
• SMILES: c1ccc(N(c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C70H50N4/c1-3-27-55(28-4-1)71(67-35-15-23-51-19-7-11-31-63(51)67)57-39-43-59(44-40-57)73(69-37-17-25-53-21-9-13-33-65(53)69)61-47-49-62(50-48-61)74(70-38-18-26-54-22-10-14-34-66(54)70)60-45-41-58(42-46-60)72(56-29-5-2-6-30-56)68-36-16-24-52-20-8-12-32-64(52)68/h1-50H
• InChIKey: HPVURDXNNZCRPI-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.20
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine (CID 87744556) is 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine.

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

The canonical SMILES for 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine is c1ccc(N(c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.

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

The InChIKey is HPVURDXNNZCRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N4/c1-3-27-55(28-4-1)71(67-35-15-23-51-19-7-11-31-63(51)67)57-39-43-59(44-40-57)73(69-37-17-25-53-21-9-13-33-65(53)69)61-47-49-62(50-48-61)74(70-38-18-26-54-22-10-14-34-66(54)70)60-45-41-58(42-46-60)72(56-29-5-2-6-30-56)68-36-16-24-52-20-8-12-32-64(52)68/h1-50H.

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

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 947.20 g/mol, XLogP of 20.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 87744556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).