4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine

C110H78N6 — CID 130281141

About 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine

4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 130281141) has the molecular formula C110H78N6 and a molecular weight of 1483.88 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
• PubChem CID: 130281141
• Molecular Formula: C110H78N6
• Molecular Weight: 1483.88 g/mol
• Exact Mass: 1482.63
• IUPAC Name: 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
• SMILES: c1ccc(N(c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3ccc(N(c4cccc(-c5cccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c6cccc7ccccc67)c5)c4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C110H78N6/c1-4-36-91(37-5-1)112(104-59-52-79-24-10-13-29-86(79)74-104)97-68-62-94(63-69-97)111(95-64-70-98(71-65-95)113(92-38-6-2-7-39-92)105-60-53-80-25-11-14-30-87(80)75-105)96-66-72-99(73-67-96)114(106-61-54-81-26-12-15-31-88(81)76-106)102-42-20-34-89(77-102)90-35-21-43-103(78-90)116(110-47-23-33-85-28-17-19-45-108(85)110)101-57-50-83(51-58-101)82-48-55-100(56-49-82)115(93-40-8-3-9-41-93)109-46-22-32-84-27-16-18-44-107(84)109/h1-78H
• InChIKey: SURDYIICVFCKBO-UHFFFAOYSA-N
• XLogP: 31.61
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.88
LogP ≤ 5	31.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine?

The IUPAC name of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine (CID 130281141) is 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine.

What is the SMILES notation for 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine?

The canonical SMILES for 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine is c1ccc(N(c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3ccc(N(c4cccc(-c5cccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c6cccc7ccccc67)c5)c4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine?

The InChIKey is SURDYIICVFCKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H78N6/c1-4-36-91(37-5-1)112(104-59-52-79-24-10-13-29-86(79)74-104)97-68-62-94(63-69-97)111(95-64-70-98(71-65-95)113(92-38-6-2-7-39-92)105-60-53-80-25-11-14-30-87(80)75-105)96-66-72-99(73-67-96)114(106-61-54-81-26-12-15-31-88(81)76-106)102-42-20-34-89(77-102)90-35-21-43-103(78-90)116(110-47-23-33-85-28-17-19-45-108(85)110)101-57-50-83(51-58-101)82-48-55-100(56-49-82)115(93-40-8-3-9-41-93)109-46-22-32-84-27-16-18-44-107(84)109/h1-78H.

What are the key properties of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine?

4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine has a molecular weight of 1483.88 g/mol, XLogP of 31.61, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 130281141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).