2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole

C41H34N2 — CID 167023241

IUPAC2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole
SMILESCc1nc2c(n1-c1ccccc1)C=C(c1ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)CC(C)C=C4)cc1)CC2
InChIInChI=1S/C41H34N2/c1-27-17-23-36-37(25-27)41(30-11-5-3-6-12-30)35-16-10-9-15-34(35)40(36)31-20-18-29(19-21-31)32-22-24-38-39(26-32)43(28(2)42-38)33-13-7-4-8-14-33/h3-21,23,26-27H,22,24-25H2,1-2H3
InChIKeyUPRVAYYKSWIBDU-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.36
Rot. Bonds4

About 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole

2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole (PubChem CID 167023241) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole
PubChem CID167023241
Molecular FormulaC41H34N2
Molecular Weight554.74 g/mol
Exact Mass554.27
IUPAC Name2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole
SMILESCc1nc2c(n1-c1ccccc1)C=C(c1ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)CC(C)C=C4)cc1)CC2
InChIInChI=1S/C41H34N2/c1-27-17-23-36-37(25-27)41(30-11-5-3-6-12-30)35-16-10-9-15-34(35)40(36)31-20-18-29(19-21-31)32-22-24-38-39(26-32)43(28(2)42-38)33-13-7-4-8-14-33/h3-21,23,26-27H,22,24-25H2,1-2H3
InChIKeyUPRVAYYKSWIBDU-UHFFFAOYSA-N
XLogP10.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole with MolForge

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Related Compounds

3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine
CID 155052921
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
CID 89265105
4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane
CID 147149825
9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene
CID 154932307
9-(3,4-dihydronaphthalen-2-yl)-10-(5,6-dihydronaphthalen-2-yl)-2-methyl-1,2-dihydroanthracene
CID 145280807
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163834153
1-phenyl-2-[9-phenyl-10-(4-phenylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]benzimidazole
CID 130184277
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 167149257
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
2-methyl-1,2-dihydrotriphenylene
CID 145204096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole?
The IUPAC name of 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole (CID 167023241) is 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole?
The canonical SMILES for 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole is Cc1nc2c(n1-c1ccccc1)C=C(c1ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)CC(C)C=C4)cc1)CC2.
What is the InChIKey of 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole?
The InChIKey is UPRVAYYKSWIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2/c1-27-17-23-36-37(25-27)41(30-11-5-3-6-12-30)35-16-10-9-15-34(35)40(36)31-20-18-29(19-21-31)32-22-24-38-39(26-32)43(28(2)42-38)33-13-7-4-8-14-33/h3-21,23,26-27H,22,24-25H2,1-2H3.
What are the key properties of 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole?
2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole has a molecular weight of 554.74 g/mol, XLogP of 10.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 167023241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).