N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine

C57H40N2 — CID 88556147

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine (PubChem CID 88556147) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
• PubChem CID: 88556147
• Molecular Formula: C57H40N2
• Molecular Weight: 752.96 g/mol
• Exact Mass: 752.32
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C57H40N2/c1-57(2)53-22-12-10-20-48(53)49-32-30-42(36-54(49)57)58(41-29-31-47-45-18-7-6-16-43(45)44-17-8-9-19-46(44)51(47)35-41)40-27-24-37(25-28-40)38-26-33-56-52(34-38)50-21-11-13-23-55(50)59(56)39-14-4-3-5-15-39/h3-36H,1-2H3
• InChIKey: FWQDGWAAZJQRHX-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.96
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine (CID 88556147) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine?

The InChIKey is FWQDGWAAZJQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)53-22-12-10-20-48(53)49-32-30-42(36-54(49)57)58(41-29-31-47-45-18-7-6-16-43(45)44-17-8-9-19-46(44)51(47)35-41)40-27-24-37(25-28-40)38-26-33-56-52(34-38)50-21-11-13-23-55(50)59(56)39-14-4-3-5-15-39/h3-36H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine has a molecular weight of 752.96 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 88556147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).