N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline

C59H41N — CID 129230991

About N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline

N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline (PubChem CID 129230991) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline
• PubChem CID: 129230991
• Molecular Formula: C59H41N
• Molecular Weight: 763.98 g/mol
• Exact Mass: 763.32
• IUPAC Name: N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline
• SMILES: C1=Cc2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(C5(c6ccccc6)c6cccc7ccc8cccc5c8c67)c4)cc3)c2CC1
• InChI: InChI=1S/C59H41N/c1-2-19-46(20-3-1)59(55-27-10-17-44-29-30-45-18-11-28-56(59)58(45)57(44)55)47-21-12-22-50(39-47)60(48-35-31-42(32-36-48)53-25-8-15-40-13-4-6-23-51(40)53)49-37-33-43(34-38-49)54-26-9-16-41-14-5-7-24-52(41)54/h1-6,8-23,25-39H,7,24H2
• InChIKey: NFRLUAGHRTYJMV-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.98
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline?

The IUPAC name of N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline (CID 129230991) is N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline.

What is the SMILES notation for N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline?

The canonical SMILES for N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline is C1=Cc2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(C5(c6ccccc6)c6cccc7ccc8cccc5c8c67)c4)cc3)c2CC1.

What is the InChIKey of N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline?

The InChIKey is NFRLUAGHRTYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-2-19-46(20-3-1)59(55-27-10-17-44-29-30-45-18-11-28-56(59)58(45)57(44)55)47-21-12-22-50(39-47)60(48-35-31-42(32-36-48)53-25-8-15-40-13-4-6-23-51(40)53)49-37-33-43(34-38-49)54-26-9-16-41-14-5-7-24-52(41)54/h1-6,8-23,25-39H,7,24H2.

What are the key properties of N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline?

N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline has a molecular weight of 763.98 g/mol, XLogP of 15.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline is sourced from PubChem (CID 129230991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).