2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole

C46H38N2 — CID 166686588

IUPAC2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
SMILESCC1CC2=C(c3ccccc3)C3CC=CC=C3C(c3ccccc3)=C2C=C1c1ccc(C2Nc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C46H38N2/c1-31-29-40-41(45(34-17-7-3-8-18-34)38-22-12-11-21-37(38)44(40)33-15-5-2-6-16-33)30-39(31)32-25-27-35(28-26-32)46-47-42-23-13-14-24-43(42)48(46)36-19-9-4-10-20-36/h2-20,22-28,30-31,37,46-47H,21,29H2,1H3
InChIKeyWNUZTRPSESRLCJ-UHFFFAOYSA-N
MW618.82 g/mol
LogP11.80
Rot. Bonds5

About 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole

2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole (PubChem CID 166686588) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
PubChem CID166686588
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC Name2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
SMILESCC1CC2=C(c3ccccc3)C3CC=CC=C3C(c3ccccc3)=C2C=C1c1ccc(C2Nc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C46H38N2/c1-31-29-40-41(45(34-17-7-3-8-18-34)38-22-12-11-21-37(38)44(40)33-15-5-2-6-16-33)30-39(31)32-25-27-35(28-26-32)46-47-42-23-13-14-24-43(42)48(46)36-19-9-4-10-20-36/h2-20,22-28,30-31,37,46-47H,21,29H2,1H3
InChIKeyWNUZTRPSESRLCJ-UHFFFAOYSA-N
XLogP11.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 511.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole 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 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
The IUPAC name of 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole (CID 166686588) is 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole is CC1CC2=C(c3ccccc3)C3CC=CC=C3C(c3ccccc3)=C2C=C1c1ccc(C2Nc3ccccc3N2c2ccccc2)cc1.
What is the InChIKey of 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
The InChIKey is WNUZTRPSESRLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-31-29-40-41(45(34-17-7-3-8-18-34)38-22-12-11-21-37(38)44(40)33-15-5-2-6-16-33)30-39(31)32-25-27-35(28-26-32)46-47-42-23-13-14-24-43(42)48(46)36-19-9-4-10-20-36/h2-20,22-28,30-31,37,46-47H,21,29H2,1H3.
What are the key properties of 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole has a molecular weight of 618.82 g/mol, XLogP of 11.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-9,10-diphenyl-3,4,5,10a-tetrahydroanthracen-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 166686588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).