N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine

C78H54N2 — CID 167214963

About N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine (PubChem CID 167214963) has the molecular formula C78H54N2 and a molecular weight of 1019.30 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine
• PubChem CID: 167214963
• Molecular Formula: C78H54N2
• Molecular Weight: 1019.30 g/mol
• Exact Mass: 1018.43
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)c3ccc4c(c3)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)cc21
• InChI: InChI=1S/C78H54N2/c1-77(2)69-36-20-17-31-59(69)62-43-40-58(50-72(62)77)79(56-41-44-65-68(49-56)76(52-25-9-4-10-26-52)64-35-16-15-34-63(64)75(65)51-23-7-3-8-24-51)57-42-46-74-67(48-57)66-47-54(39-45-73(66)80(74)55-29-13-6-14-30-55)78(53-27-11-5-12-28-53)70-37-21-18-32-60(70)61-33-19-22-38-71(61)78/h3-50H,1-2H3
• InChIKey: FUIYKGRQYHRLSU-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.30
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine (CID 167214963) is N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)c3ccc4c(c3)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine?

The InChIKey is FUIYKGRQYHRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2/c1-77(2)69-36-20-17-31-59(69)62-43-40-58(50-72(62)77)79(56-41-44-65-68(49-56)76(52-25-9-4-10-26-52)64-35-16-15-34-63(64)75(65)51-23-7-3-8-24-51)57-42-46-74-67(48-57)66-47-54(39-45-73(66)80(74)55-29-13-6-14-30-55)78(53-27-11-5-12-28-53)70-37-21-18-32-60(70)61-33-19-22-38-71(61)78/h3-50H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine has a molecular weight of 1019.30 g/mol, XLogP of 20.56, 8 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-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine is sourced from PubChem (CID 167214963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).