N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine

C75H51N — CID 169063862

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 169063862) has the molecular formula C75H51N and a molecular weight of 966.24 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
• PubChem CID: 169063862
• Molecular Formula: C75H51N
• Molecular Weight: 966.24 g/mol
• Exact Mass: 965.40
• IUPAC Name: N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C75H51N/c1-7-24-52(25-8-1)63-46-43-61(50-68(63)53-26-9-2-10-27-53)76(62-44-47-72-69(51-62)66-39-21-22-41-71(66)75(72,58-33-15-5-16-34-58)59-35-17-6-18-36-59)60-37-23-32-56(48-60)57-42-45-65-64-38-19-20-40-67(64)73(54-28-11-3-12-29-54)74(70(65)49-57)55-30-13-4-14-31-55/h1-51H
• InChIKey: STFMOQMTJJBLON-UHFFFAOYSA-N
• XLogP: 20.16
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.24
LogP ≤ 5	20.16
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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?

The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine (CID 169063862) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine.

What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?

The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1.

What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?

The InChIKey is STFMOQMTJJBLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N/c1-7-24-52(25-8-1)63-46-43-61(50-68(63)53-26-9-2-10-27-53)76(62-44-47-72-69(51-62)66-39-21-22-41-71(66)75(72,58-33-15-5-16-34-58)59-35-17-6-18-36-59)60-37-23-32-56(48-60)57-42-45-65-64-38-19-20-40-67(64)73(54-28-11-3-12-29-54)74(70(65)49-57)55-30-13-4-14-31-55/h1-51H.

What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 966.24 g/mol, XLogP of 20.16, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 169063862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).