2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole

C40H32N2 — CID 155300096

IUPAC2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6c4=CCCC=6)C=CCC5)cc3)cc2n1-c1ccccc1
InChIInChI=1S/C40H32N2/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/h2-8,12-17,19-26H,9-11,18H2,1H3
InChIKeyWQNYWKUKIGUFND-UHFFFAOYSA-N
MW540.71 g/mol
LogP8.65
Rot. Bonds4

About 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole

2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole (PubChem CID 155300096) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole
PubChem CID155300096
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6c4=CCCC=6)C=CCC5)cc3)cc2n1-c1ccccc1
InChIInChI=1S/C40H32N2/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/h2-8,12-17,19-26H,9-11,18H2,1H3
InChIKeyWQNYWKUKIGUFND-UHFFFAOYSA-N
XLogP8.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 134389370
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669
1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole
CID 163508807
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,5-dien-1-ylbenzimidazole
CID 146493059
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-[4-[10-(2-cyclohexa-1,5-dien-1-ylphenyl)-9-(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 166907609
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole (CID 155300096) is 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole is Cc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6c4=CCCC=6)C=CCC5)cc3)cc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is WQNYWKUKIGUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/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/h2-8,12-17,19-26H,9-11,18H2,1H3.
What are the key properties of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole?
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 540.71 g/mol, XLogP of 8.65, 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-1,2,6,7-tetrahydroanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 155300096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).