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

C40H30N2 — CID 134389370

IUPAC2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)=CCCC=5)cc3)cc2n1-c1ccccc1
InChIInChI=1S/C40H30N2/c1-27-41-37-25-24-31(26-38(37)42(27)32-14-6-3-7-15-32)28-20-22-30(23-21-28)40-35-18-10-8-16-33(35)39(29-12-4-2-5-13-29)34-17-9-11-19-36(34)40/h2-8,10,12-26H,9,11H2,1H3
InChIKeyDMJHQDFCSKESOB-UHFFFAOYSA-N
MW538.69 g/mol
LogP8.84
Rot. Bonds4

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

2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole (PubChem CID 134389370) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
PubChem CID134389370
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)=CCCC=5)cc3)cc2n1-c1ccccc1
InChIInChI=1S/C40H30N2/c1-27-41-37-25-24-31(26-38(37)42(27)32-14-6-3-7-15-32)28-20-22-30(23-21-28)40-35-18-10-8-16-33(35)39(29-12-4-2-5-13-29)34-17-9-11-19-36(34)40/h2-8,10,12-26H,9,11H2,1H3
InChIKeyDMJHQDFCSKESOB-UHFFFAOYSA-N
XLogP8.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole
CID 155300096
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
2-ethyl-1-[10-(4-phenylphenyl)anthracen-9-yl]benzimidazole;2-methyl-1-[4-[7-[4-(2-methylbenzimidazol-1-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole;1-methyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-methyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-methyl-1-phenyl-5-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-phenyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 165020079
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole (CID 134389370) is 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole is Cc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)=CCCC=5)cc3)cc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is DMJHQDFCSKESOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-27-41-37-25-24-31(26-38(37)42(27)32-14-6-3-7-15-32)28-20-22-30(23-21-28)40-35-18-10-8-16-33(35)39(29-12-4-2-5-13-29)34-17-9-11-19-36(34)40/h2-8,10,12-26H,9,11H2,1H3.
What are the key properties of 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole?
2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 538.69 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 134389370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).