N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine

C66H45N — CID 169063787

About N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine (PubChem CID 169063787) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine.

Molecular Properties

• Compound Name: N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine
• PubChem CID: 169063787
• Molecular Formula: C66H45N
• Molecular Weight: 852.09 g/mol
• Exact Mass: 851.36
• IUPAC Name: N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21
• InChI: InChI=1S/C66H45N/c1-66(49-25-9-4-10-26-49)60-33-17-15-30-56(60)58-32-19-35-62(65(58)66)67(50-39-41-52-47(42-50)37-36-44-20-11-12-27-51(44)52)61-34-18-16-28-53(61)48-38-40-55-54-29-13-14-31-57(54)63(45-21-5-2-6-22-45)64(59(55)43-48)46-23-7-3-8-24-46/h2-43H,1H3
• InChIKey: HTGFZDYBQUQXJF-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.09
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]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine?

The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine (CID 169063787) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine.

What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine?

The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21.

What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine?

The InChIKey is HTGFZDYBQUQXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-66(49-25-9-4-10-26-49)60-33-17-15-30-56(60)58-32-19-35-62(65(58)66)67(50-39-41-52-47(42-50)37-36-44-20-11-12-27-51(44)52)61-34-18-16-28-53(61)48-38-40-55-54-29-13-14-31-57(54)63(45-21-5-2-6-22-45)64(59(55)43-48)46-23-7-3-8-24-46/h2-43H,1H3.

What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine?

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine has a molecular weight of 852.09 g/mol, XLogP of 18.10, 7 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]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine is sourced from PubChem (CID 169063787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).