1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole

C46H32N2 — CID 170235619

IUPAC1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C46H32N2/c1-31-47-43-25-12-13-26-44(43)48(31)38-20-14-19-34(30-38)45-39-21-8-10-23-41(39)46(42-24-11-9-22-40(42)45)37-28-35(32-15-4-2-5-16-32)27-36(29-37)33-17-6-3-7-18-33/h2-30H,1H3
InChIKeyYHNCWWZNQRDGNZ-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.31
Rot. Bonds5

About 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole

1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole (PubChem CID 170235619) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
PubChem CID170235619
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C46H32N2/c1-31-47-43-25-12-13-26-44(43)48(31)38-20-14-19-34(30-38)45-39-21-8-10-23-41(39)46(42-24-11-9-22-40(42)45)37-28-35(32-15-4-2-5-16-32)27-36(29-37)33-17-6-3-7-18-33/h2-30H,1H3
InChIKeyYHNCWWZNQRDGNZ-UHFFFAOYSA-N
XLogP12.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070456
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
1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169070288
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
CID 174118953
CID 174118953
2-methyl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 169071319
2-methyl-1-[3-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236086
CID 174118268
CID 174118268
CID 174119072
CID 174119072
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
1-[3-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236586

Frequently Asked Questions

What is the IUPAC name of 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole?
The IUPAC name of 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole (CID 170235619) is 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)c1.
What is the InChIKey of 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole?
The InChIKey is YHNCWWZNQRDGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-31-47-43-25-12-13-26-44(43)48(31)38-20-14-19-34(30-38)45-39-21-8-10-23-41(39)46(42-24-11-9-22-40(42)45)37-28-35(32-15-4-2-5-16-32)27-36(29-37)33-17-6-3-7-18-33/h2-30H,1H3.
What are the key properties of 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole?
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole has a molecular weight of 612.78 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole is sourced from PubChem (CID 170235619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).