N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine

C64H43N — CID 169064136

About N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine (PubChem CID 169064136) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
• PubChem CID: 169064136
• Molecular Formula: C64H43N
• Molecular Weight: 826.06 g/mol
• Exact Mass: 825.34
• IUPAC Name: N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
• SMILES: c1ccc(-c2ccc3cc(N(c4ccc5cc(-c6ccccc6)ccc5c4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1
• InChI: InChI=1S/C64H43N/c1-5-17-44(18-6-1)48-29-31-52-41-55(36-33-50(52)39-48)65(56-37-34-51-40-49(30-32-53(51)42-56)45-19-7-2-8-20-45)62-28-16-15-25-57(62)54-35-38-59-58-26-13-14-27-60(58)63(46-21-9-3-10-22-46)64(61(59)43-54)47-23-11-4-12-24-47/h1-43H
• InChIKey: LQDYKXWDQPSOAZ-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.06
LogP ≤ 5	18.10
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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine?

The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine (CID 169064136) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine.

What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine?

The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine is c1ccc(-c2ccc3cc(N(c4ccc5cc(-c6ccccc6)ccc5c4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1.

What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine?

The InChIKey is LQDYKXWDQPSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-5-17-44(18-6-1)48-29-31-52-41-55(36-33-50(52)39-48)65(56-37-34-51-40-49(30-32-53(51)42-56)45-19-7-2-8-20-45)62-28-16-15-25-57(62)54-35-38-59-58-26-13-14-27-60(58)63(46-21-9-3-10-22-46)64(61(59)43-54)47-23-11-4-12-24-47/h1-43H.

What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine?

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine has a molecular weight of 826.06 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine is sourced from PubChem (CID 169064136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).