3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole

C43H33N — CID 59194893

About 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole

3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole (PubChem CID 59194893) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole.

Molecular Properties

• Compound Name: 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
• PubChem CID: 59194893
• Molecular Formula: C43H33N
• Molecular Weight: 563.74 g/mol
• Exact Mass: 563.26
• IUPAC Name: 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
• SMILES: Cc1ccc2c(-c3ccc4c(c3)c3ccccc3n4C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
• InChI: InChI=1S/C43H33N/c1-26-17-20-34-36(23-26)42(28-18-21-30-29-11-7-9-15-37(29)43(2,3)38(30)25-28)33-14-6-5-13-32(33)41(34)27-19-22-40-35(24-27)31-12-8-10-16-39(31)44(40)4/h5-25H,1-4H3
• InChIKey: MQNQSLWWJGVAJR-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.74
LogP ≤ 5	11.59
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 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole?

The IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole (CID 59194893) is 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole.

What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole?

The canonical SMILES for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole is Cc1ccc2c(-c3ccc4c(c3)c3ccccc3n4C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.

What is the InChIKey of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole?

The InChIKey is MQNQSLWWJGVAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-26-17-20-34-36(23-26)42(28-18-21-30-29-11-7-9-15-37(29)43(2,3)38(30)25-28)33-14-6-5-13-32(33)41(34)27-19-22-40-35(24-27)31-12-8-10-16-39(31)44(40)4/h5-25H,1-4H3.

What are the key properties of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole?

3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole has a molecular weight of 563.74 g/mol, XLogP of 11.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole is sourced from PubChem (CID 59194893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).