N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine

C59H43N — CID 121321764

About N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine

N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine (PubChem CID 121321764) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine.

Molecular Properties

• Compound Name: N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine
• PubChem CID: 121321764
• Molecular Formula: C59H43N
• Molecular Weight: 766.00 g/mol
• Exact Mass: 765.34
• IUPAC Name: N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc4cc5ccccc5cc4c3)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C59H43N/c1-59(2)56-38-49(44-27-25-43(26-28-44)42-23-21-41(22-24-42)40-13-5-3-6-14-40)30-33-54(56)55-34-32-52(39-57(55)59)60(58-20-12-11-19-53(58)45-15-7-4-8-16-45)51-31-29-48-35-46-17-9-10-18-47(46)36-50(48)37-51/h3-39H,1-2H3
• InChIKey: ZCOTXDPGCIPPCB-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.00
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine?

The IUPAC name of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine (CID 121321764) is N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine.

What is the SMILES notation for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine?

The canonical SMILES for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc4cc5ccccc5cc4c3)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine?

The InChIKey is ZCOTXDPGCIPPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-59(2)56-38-49(44-27-25-43(26-28-44)42-23-21-41(22-24-42)40-13-5-3-6-14-40)30-33-54(56)55-34-32-52(39-57(55)59)60(58-20-12-11-19-53(58)45-15-7-4-8-16-45)51-31-29-48-35-46-17-9-10-18-47(46)36-50(48)37-51/h3-39H,1-2H3.

What are the key properties of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine?

N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine has a molecular weight of 766.00 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine is sourced from PubChem (CID 121321764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).