9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole

C56H41N — CID 58676147

About 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole

9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole (PubChem CID 58676147) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
• PubChem CID: 58676147
• Molecular Formula: C56H41N
• Molecular Weight: 727.95 g/mol
• Exact Mass: 727.32
• IUPAC Name: 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)c4ccccc34)cc21
• InChI: InChI=1S/C56H41N/c1-55(2)47-22-12-9-15-37(47)38-28-25-34(31-48(38)55)53-43-18-5-7-20-45(43)54(46-21-8-6-19-44(46)53)35-26-29-39-40-30-27-36(33-50(40)56(3,4)49(39)32-35)57-51-23-13-10-16-41(51)42-17-11-14-24-52(42)57/h5-33H,1-4H3
• InChIKey: QSDPBDKJSQHTOU-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.95
LogP ≤ 5	15.04
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 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole?

The IUPAC name of 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole (CID 58676147) is 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole.

What is the SMILES notation for 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole?

The canonical SMILES for 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)c4ccccc34)cc21.

What is the InChIKey of 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole?

The InChIKey is QSDPBDKJSQHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)47-22-12-9-15-37(47)38-28-25-34(31-48(38)55)53-43-18-5-7-20-45(43)54(46-21-8-6-19-44(46)53)35-26-29-39-40-30-27-36(33-50(40)56(3,4)49(39)32-35)57-51-23-13-10-16-41(51)42-17-11-14-24-52(42)57/h5-33H,1-4H3.

What are the key properties of 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole?

9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole has a molecular weight of 727.95 g/mol, XLogP of 15.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole is sourced from PubChem (CID 58676147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).