2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole

C46H32N2 — CID 87412320

IUPAC2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H32N2/c1-31-47-43-17-9-10-18-44(43)48(31)38-29-27-37(28-30-38)46-41-15-7-5-13-39(41)45(40-14-6-8-16-42(40)46)36-25-23-35(24-26-36)34-21-19-33(20-22-34)32-11-3-2-4-12-32/h2-30H,1H3
InChIKeyIGNUTCBJHAZVLE-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.31
Rot. Bonds5

About 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole

2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole (PubChem CID 87412320) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
PubChem CID87412320
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H32N2/c1-31-47-43-17-9-10-18-44(43)48(31)38-29-27-37(28-30-38)46-41-15-7-5-13-39(41)45(40-14-6-8-16-42(40)46)36-25-23-35(24-26-36)34-21-19-33(20-22-34)32-11-3-2-4-12-32/h2-30H,1H3
InChIKeyIGNUTCBJHAZVLE-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

1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-methyl-1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070279
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
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
2-methyl-1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 58898396
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498
1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 139519929
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
CID 155333103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole (CID 87412320) is 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is IGNUTCBJHAZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-31-47-43-17-9-10-18-44(43)48(31)38-29-27-37(28-30-38)46-41-15-7-5-13-39(41)45(40-14-6-8-16-42(40)46)36-25-23-35(24-26-36)34-21-19-33(20-22-34)32-11-3-2-4-12-32/h2-30H,1H3.
What are the key properties of 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole 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 2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 87412320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).