9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

C56H38N2 — CID 155333918

About 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (PubChem CID 155333918) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
• PubChem CID: 155333918
• Molecular Formula: C56H38N2
• Molecular Weight: 738.93 g/mol
• Exact Mass: 738.30
• IUPAC Name: 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
• SMILES: Cn1c2ccccc2c2ccc(-c3cccc4c(-c5ccc6c(-c7ccccc7)cccc6c5)c5cccc(-c6ccc7c8ccccc8n(C)c7c6)c5cc34)cc21
• InChI: InChI=1S/C56H38N2/c1-57-52-23-8-6-16-44(52)46-29-25-37(32-54(46)57)41-19-11-21-48-50(41)34-51-42(38-26-30-47-45-17-7-9-24-53(45)58(2)55(47)33-38)20-12-22-49(51)56(48)39-27-28-43-36(31-39)15-10-18-40(43)35-13-4-3-5-14-35/h3-34H,1-2H3
• InChIKey: XHBCBAUEBARCRK-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.93
LogP ≤ 5	15.10
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 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The IUPAC name of 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (CID 155333918) is 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.

What is the SMILES notation for 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The canonical SMILES for 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is Cn1c2ccccc2c2ccc(-c3cccc4c(-c5ccc6c(-c7ccccc7)cccc6c5)c5cccc(-c6ccc7c8ccccc8n(C)c7c6)c5cc34)cc21.

What is the InChIKey of 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The InChIKey is XHBCBAUEBARCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-57-52-23-8-6-16-44(52)46-29-25-37(32-54(46)57)41-19-11-21-48-50(41)34-51-42(38-26-30-47-45-17-7-9-24-53(45)58(2)55(47)33-38)20-12-22-49(51)56(48)39-27-28-43-36(31-39)15-10-18-40(43)35-13-4-3-5-14-35/h3-34H,1-2H3.

What are the key properties of 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole has a molecular weight of 738.93 g/mol, XLogP of 15.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155333918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).