2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole

C46H30N2 — CID 139519819

IUPAC2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-29-47-43-20-10-11-21-44(43)48(29)32-25-22-30(23-26-32)45-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)45)31-24-27-37-35-14-3-2-12-33(35)34-13-4-5-15-36(34)42(37)28-31/h2-28H,1H3
InChIKeyHEFRUWNCTPLULN-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.43
Rot. Bonds3

About 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole

2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole (PubChem CID 139519819) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
PubChem CID139519819
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-29-47-43-20-10-11-21-44(43)48(29)32-25-22-30(23-26-32)45-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)45)31-24-27-37-35-14-3-2-12-33(35)34-13-4-5-15-36(34)42(37)28-31/h2-28H,1H3
InChIKeyHEFRUWNCTPLULN-UHFFFAOYSA-N
XLogP12.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 58898396
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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-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 134487962
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
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-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071527
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
1-[4-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 169071645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole (CID 139519819) is 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is HEFRUWNCTPLULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-29-47-43-20-10-11-21-44(43)48(29)32-25-22-30(23-26-32)45-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)45)31-24-27-37-35-14-3-2-12-33(35)34-13-4-5-15-36(34)42(37)28-31/h2-28H,1H3.
What are the key properties of 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole?
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 610.76 g/mol, XLogP of 12.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 139519819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).