N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine

C140H89N3 — CID 155304882

About N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine

N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine (PubChem CID 155304882) has the molecular formula C140H89N3 and a molecular weight of 1813.27 g/mol. Its IUPAC name is N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine.

Molecular Properties

• Compound Name: N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine
• PubChem CID: 155304882
• Molecular Formula: C140H89N3
• Molecular Weight: 1813.27 g/mol
• Exact Mass: 1811.71
• IUPAC Name: N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine
• SMILES: c1ccc(-c2c(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4cccc(-c5c(N(c6cccc7ccccc67)c6ccc(-c7cccc(-c8c(N(c9ccc(-c%10ccc%11ccccc%11c%10)cc9)c9ccc%10ccccc%10c9)c9ccccc9c9ccccc89)c7)c7ccccc67)c6ccccc6c6ccccc56)c4)c4ccccc34)c3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C140H89N3/c1-2-36-95(37-3-1)135-125-60-24-16-51-115(125)119-55-20-28-64-129(119)139(135)142(105-77-71-93(72-78-105)99-74-80-122-114-50-11-10-48-112(114)113-49-12-13-57-121(113)131(122)89-99)133-83-81-107(110-46-14-22-58-123(110)133)101-42-31-44-103(87-101)137-127-62-26-18-53-117(127)120-56-21-29-65-130(120)140(137)143(132-66-32-40-94-35-8-9-45-109(94)132)134-84-82-108(111-47-15-23-59-124(111)134)100-41-30-43-102(86-100)136-126-61-25-17-52-116(126)118-54-19-27-63-128(118)138(136)141(106-79-73-91-34-5-7-39-97(91)88-106)104-75-69-92(70-76-104)98-68-67-90-33-4-6-38-96(90)85-98/h1-89H
• InChIKey: NXPNIEYOSFFPLY-UHFFFAOYSA-N
• XLogP: 39.91
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1813.27
LogP ≤ 5	39.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine?

The IUPAC name of N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine (CID 155304882) is N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine.

What is the SMILES notation for N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine?

The canonical SMILES for N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine is c1ccc(-c2c(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4cccc(-c5c(N(c6cccc7ccccc67)c6ccc(-c7cccc(-c8c(N(c9ccc(-c%10ccc%11ccccc%11c%10)cc9)c9ccc%10ccccc%10c9)c9ccccc9c9ccccc89)c7)c7ccccc67)c6ccccc6c6ccccc56)c4)c4ccccc34)c3ccccc3c3ccccc23)cc1.

What is the InChIKey of N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine?

The InChIKey is NXPNIEYOSFFPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H89N3/c1-2-36-95(37-3-1)135-125-60-24-16-51-115(125)119-55-20-28-64-129(119)139(135)142(105-77-71-93(72-78-105)99-74-80-122-114-50-11-10-48-112(114)113-49-12-13-57-121(113)131(122)89-99)133-83-81-107(110-46-14-22-58-123(110)133)101-42-31-44-103(87-101)137-127-62-26-18-53-117(127)120-56-21-29-65-130(120)140(137)143(132-66-32-40-94-35-8-9-45-109(94)132)134-84-82-108(111-47-15-23-59-124(111)134)100-41-30-43-102(86-100)136-126-61-25-17-52-116(126)118-54-19-27-63-128(118)138(136)141(106-79-73-91-34-5-7-39-97(91)88-106)104-75-69-92(70-76-104)98-68-67-90-33-4-6-38-96(90)85-98/h1-89H.

What are the key properties of N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine?

N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine has a molecular weight of 1813.27 g/mol, XLogP of 39.91, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155304882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).