N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline

C118H74N2O2 — CID 166939667

About N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline

N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline (PubChem CID 166939667) has the molecular formula C118H74N2O2 and a molecular weight of 1551.90 g/mol. Its IUPAC name is N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline.

Molecular Properties

• Compound Name: N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
• PubChem CID: 166939667
• Molecular Formula: C118H74N2O2
• Molecular Weight: 1551.90 g/mol
• Exact Mass: 1550.58
• IUPAC Name: N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
• SMILES: c1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccc(-c5ccc6cc(-c7ccc(N(c8ccc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)cc8)c8cccc(-c9cccc%10oc%11c%12ccccc%12ccc%11c9%10)c8)cc7)c7ccccc7c6c5)cc4c3)cc2)c1
• InChI: InChI=1S/C118H74N2O2/c1-3-19-86-67-88(41-37-75(86)15-1)79-35-33-77(34-36-79)78-47-57-97(58-48-78)120(102-24-12-22-94(72-102)104-30-14-32-114-116(104)110-66-56-84-18-6-8-26-106(84)118(110)122-114)100-63-53-85(54-64-100)111-74-95-46-45-92(73-112(95)108-28-10-9-27-107(108)111)91-44-40-82-39-43-90(69-96(82)70-91)81-51-61-99(62-52-81)119(98-59-49-80(50-60-98)89-42-38-76-16-2-4-20-87(76)68-89)101-23-11-21-93(71-101)103-29-13-31-113-115(103)109-65-55-83-17-5-7-25-105(83)117(109)121-113/h1-74H
• InChIKey: OIZHQVPWQZIEGB-UHFFFAOYSA-N
• XLogP: 33.83
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1551.90
LogP ≤ 5	33.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?

The IUPAC name of N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline (CID 166939667) is N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline.

What is the SMILES notation for N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?

The canonical SMILES for N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline is c1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccc(-c5ccc6cc(-c7ccc(N(c8ccc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)cc8)c8cccc(-c9cccc%10oc%11c%12ccccc%12ccc%11c9%10)c8)cc7)c7ccccc7c6c5)cc4c3)cc2)c1.

What is the InChIKey of N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?

The InChIKey is OIZHQVPWQZIEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H74N2O2/c1-3-19-86-67-88(41-37-75(86)15-1)79-35-33-77(34-36-79)78-47-57-97(58-48-78)120(102-24-12-22-94(72-102)104-30-14-32-114-116(104)110-66-56-84-18-6-8-26-106(84)118(110)122-114)100-63-53-85(54-64-100)111-74-95-46-45-92(73-112(95)108-28-10-9-27-107(108)111)91-44-40-82-39-43-90(69-96(82)70-91)81-51-61-99(62-52-81)119(98-59-49-80(50-60-98)89-42-38-76-16-2-4-20-87(76)68-89)101-23-11-21-93(71-101)103-29-13-31-113-115(103)109-65-55-83-17-5-7-25-105(83)117(109)121-113/h1-74H.

What are the key properties of N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?

N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline has a molecular weight of 1551.90 g/mol, XLogP of 33.83, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline is sourced from PubChem (CID 166939667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).