N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C60H42N2 — CID 160623452

About N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 160623452) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
• PubChem CID: 160623452
• Molecular Formula: C60H42N2
• Molecular Weight: 791.01 g/mol
• Exact Mass: 790.33
• IUPAC Name: N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
• SMILES: C(=C\c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)\c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C60H42N2/c1-5-21-53-47(13-1)17-9-25-57(53)61(58-26-10-18-48-14-2-6-22-54(48)58)51-39-33-44(34-40-51)30-29-43-31-35-45(36-32-43)46-37-41-52(42-38-46)62(59-27-11-19-49-15-3-7-23-55(49)59)60-28-12-20-50-16-4-8-24-56(50)60/h1-42H/b30-29-
• InChIKey: BOILDMXAETYOQV-FLWNBWAVSA-N
• XLogP: 17.08
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.01
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

The IUPAC name of N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 160623452) is N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

The canonical SMILES for N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is C(=C\c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)\c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

The InChIKey is BOILDMXAETYOQV-FLWNBWAVSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-21-53-47(13-1)17-9-25-57(53)61(58-26-10-18-48-14-2-6-22-54(48)58)51-39-33-44(34-40-51)30-29-43-31-35-45(36-32-43)46-37-41-52(42-38-46)62(59-27-11-19-49-15-3-7-23-55(49)59)60-28-12-20-50-16-4-8-24-56(50)60/h1-42H/b30-29-.

What are the key properties of N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 791.01 g/mol, XLogP of 17.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 160623452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).