9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane

C53H43N — CID 144907309

About 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane

9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane (PubChem CID 144907309) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane.

Molecular Properties

• Compound Name: 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
• PubChem CID: 144907309
• Molecular Formula: C53H43N
• Molecular Weight: 693.93 g/mol
• Exact Mass: 693.34
• IUPAC Name: 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
• SMILES: CCC.Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)ccc1C
• InChI: InChI=1S/C50H35N.C3H8/c1-32-12-3-4-15-39(32)46-31-38(25-22-33(46)2)51-49-21-10-9-20-45(49)48-30-37(24-27-50(48)51)35-14-11-13-34(28-35)36-23-26-44-42-18-6-5-16-40(42)41-17-7-8-19-43(41)47(44)29-36;1-3-2/h3-31H,1-2H3;3H2,1-2H3
• InChIKey: SPJBHJUQSKPLPB-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.93
LogP ≤ 5	15.28
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-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane?

The IUPAC name of 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane (CID 144907309) is 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane.

What is the SMILES notation for 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane?

The canonical SMILES for 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane is CCC.Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)ccc1C.

What is the InChIKey of 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane?

The InChIKey is SPJBHJUQSKPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N.C3H8/c1-32-12-3-4-15-39(32)46-31-38(25-22-33(46)2)51-49-21-10-9-20-45(49)48-30-37(24-27-50(48)51)35-14-11-13-34(28-35)36-23-26-44-42-18-6-5-16-40(42)41-17-7-8-19-43(41)47(44)29-36;1-3-2/h3-31H,1-2H3;3H2,1-2H3.

What are the key properties of 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane?

9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane has a molecular weight of 693.93 g/mol, XLogP of 15.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane is sourced from PubChem (CID 144907309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).