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

C40H30N2 — CID 129305926

IUPAC2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)C=CCC5)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/h2-10,12-18,20-26H,11,19H2,1H3
InChIKeyFKDRCOFDEQIQJB-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.45
Rot. Bonds4

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

2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole (PubChem CID 129305926) 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-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
PubChem CID129305926
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)C=CCC5)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/h2-10,12-18,20-26H,11,19H2,1H3
InChIKeyFKDRCOFDEQIQJB-UHFFFAOYSA-N
XLogP10.45
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 ≤ 510.45
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-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
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]carbazole
CID 163710464
8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146360933
1-[4-[4-(1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-2-methylbenzimidazole
CID 163508807
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
dimethyl-methylidene-[4-[10-(4-phenylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-λ5-phosphane
CID 166895339
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole (CID 129305926) is 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole is Cc1nc2ccc(-c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)C=CCC5)cc3)cc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is FKDRCOFDEQIQJB-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/h2-10,12-18,20-26H,11,19H2,1H3.
What are the key properties of 2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole?
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 538.69 g/mol, XLogP of 10.45, 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-dihydroanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 129305926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).