9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole

C43H35N — CID 58991829

About 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole

9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 58991829) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
• PubChem CID: 58991829
• Molecular Formula: C43H35N
• Molecular Weight: 565.76 g/mol
• Exact Mass: 565.28
• IUPAC Name: 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(C(C)(C)C)ccc23)cc1
• InChI: InChI=1S/C43H35N/c1-28-17-19-29(20-18-28)41-35-13-5-6-14-36(35)42(38-27-31(43(2,3)4)23-26-37(38)41)30-21-24-32(25-22-30)44-39-15-9-7-11-33(39)34-12-8-10-16-40(34)44/h5-27H,1-4H3
• InChIKey: QOMPFECJHSDPGS-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.76
LogP ≤ 5	12.03
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-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole (CID 58991829) is 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole is Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(C(C)(C)C)ccc23)cc1.

What is the InChIKey of 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?

The InChIKey is QOMPFECJHSDPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N/c1-28-17-19-29(20-18-28)41-35-13-5-6-14-36(35)42(38-27-31(43(2,3)4)23-26-37(38)41)30-21-24-32(25-22-30)44-39-15-9-7-11-33(39)34-12-8-10-16-40(34)44/h5-27H,1-4H3.

What are the key properties of 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?

9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 565.76 g/mol, XLogP of 12.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58991829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).