N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine

C58H42N2 — CID 135128661

About N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine

N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine (PubChem CID 135128661) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine
• PubChem CID: 135128661
• Molecular Formula: C58H42N2
• Molecular Weight: 766.99 g/mol
• Exact Mass: 766.33
• IUPAC Name: N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine
• SMILES: C=C(c1ccccc1C(=C)N(c1ccccc1)c1ccccc1)c1c2ccccc2c(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12
• InChI: InChI=1S/C58H42N2/c1-41(47-31-15-16-32-48(47)42(2)59(43-23-7-3-8-24-43)44-25-9-4-10-26-44)57-51-35-19-21-37-53(51)58(54-38-22-20-36-52(54)57)55-39-40-56(50-34-18-17-33-49(50)55)60(45-27-11-5-12-28-45)46-29-13-6-14-30-46/h3-40H,1-2H2
• InChIKey: CDOWVBDLXFBPRK-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.99
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine?

The IUPAC name of N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine (CID 135128661) is N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine.

What is the SMILES notation for N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine?

The canonical SMILES for N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine is C=C(c1ccccc1C(=C)N(c1ccccc1)c1ccccc1)c1c2ccccc2c(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12.

What is the InChIKey of N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine?

The InChIKey is CDOWVBDLXFBPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-41(47-31-15-16-32-48(47)42(2)59(43-23-7-3-8-24-43)44-25-9-4-10-26-44)57-51-35-19-21-37-53(51)58(54-38-22-20-36-52(54)57)55-39-40-56(50-34-18-17-33-49(50)55)60(45-27-11-5-12-28-45)46-29-13-6-14-30-46/h3-40H,1-2H2.

What are the key properties of N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine?

N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine has a molecular weight of 766.99 g/mol, XLogP of 16.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine is sourced from PubChem (CID 135128661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).