9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole

C57H39N — CID 118919744

About 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole

9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 118919744) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
• PubChem CID: 118919744
• Molecular Formula: C57H39N
• Molecular Weight: 737.95 g/mol
• Exact Mass: 737.31
• IUPAC Name: 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)cc54)c3)cc21
• InChI: InChI=1S/C57H39N/c1-57(2)53-23-9-7-21-48(53)49-29-26-40(34-54(49)57)38-15-12-16-42(32-38)58-55-24-10-8-22-50(55)51-30-27-41(35-56(51)58)37-14-11-13-36(31-37)39-25-28-47-45-19-4-3-17-43(45)44-18-5-6-20-46(44)52(47)33-39/h3-35H,1-2H3
• InChIKey: IEFPSSTVLNDIAK-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.95
LogP ≤ 5	15.55
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 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole?

The IUPAC name of 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole (CID 118919744) is 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole.

What is the SMILES notation for 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole?

The canonical SMILES for 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)cc54)c3)cc21.

What is the InChIKey of 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole?

The InChIKey is IEFPSSTVLNDIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-57(2)53-23-9-7-21-48(53)49-29-26-40(34-54(49)57)38-15-12-16-42(32-38)58-55-24-10-8-22-50(55)51-30-27-41(35-56(51)58)37-14-11-13-36(31-37)39-25-28-47-45-19-4-3-17-43(45)44-18-5-6-20-46(44)52(47)33-39/h3-35H,1-2H3.

What are the key properties of 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole?

9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole has a molecular weight of 737.95 g/mol, XLogP of 15.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 118919744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).