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

C53H43N — CID 144907309

IUPAC9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
SMILESCCC.Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)ccc1C
InChIInChI=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
InChIKeySPJBHJUQSKPLPB-UHFFFAOYSA-N
MW693.93 g/mol
LogP15.28
Rot. Bonds4

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 Name9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
PubChem CID144907309
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC Name9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
SMILESCCC.Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)ccc1C
InChIInChI=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
InChIKeySPJBHJUQSKPLPB-UHFFFAOYSA-N
XLogP15.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).