N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine

C67H47N — CID 177294696

About N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine (PubChem CID 177294696) has the molecular formula C67H47N and a molecular weight of 866.12 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine
• PubChem CID: 177294696
• Molecular Formula: C67H47N
• Molecular Weight: 866.12 g/mol
• Exact Mass: 865.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c(-c4ccccc4-c4ccccc4-c4ccccc4)ccc4c5ccccc5c5ccccc5c34)cc21
• InChI: InChI=1S/C67H47N/c1-67(2)63-31-17-16-29-58(63)59-39-38-50(43-64(59)67)68(49-36-34-45(35-37-49)48-33-32-44-18-6-7-21-47(44)42-48)66-62(41-40-61-56-27-12-10-25-54(56)55-26-14-15-30-60(55)65(61)66)57-28-13-11-24-53(57)52-23-9-8-22-51(52)46-19-4-3-5-20-46/h3-43H,1-2H3
• InChIKey: CVSHLCDKOJCLKB-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.12
LogP ≤ 5	18.74
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-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine (CID 177294696) is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c(-c4ccccc4-c4ccccc4-c4ccccc4)ccc4c5ccccc5c5ccccc5c34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine?

The InChIKey is CVSHLCDKOJCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N/c1-67(2)63-31-17-16-29-58(63)59-39-38-50(43-64(59)67)68(49-36-34-45(35-37-49)48-33-32-44-18-6-7-21-47(44)42-48)66-62(41-40-61-56-27-12-10-25-54(56)55-26-14-15-30-60(55)65(61)66)57-28-13-11-24-53(57)52-23-9-8-22-51(52)46-19-4-3-5-20-46/h3-43H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine has a molecular weight of 866.12 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine is sourced from PubChem (CID 177294696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).