5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole

C39H26N2 — CID 136612713

IUPAC5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole
SMILESc1ccc(-c2nc3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc3[nH]2)cc1
InChIInChI=1S/C39H26N2/c1-4-12-26(13-5-1)37-31-18-10-11-19-32(31)38(27-14-6-2-7-15-27)34-24-29(20-22-33(34)37)30-21-23-35-36(25-30)41-39(40-35)28-16-8-3-9-17-28/h1-25H,(H,40,41)
InChIKeyLDOFLRUMGYQRIF-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.54
Rot. Bonds4

About 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole

5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole (PubChem CID 136612713) has the molecular formula C39H26N2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole
PubChem CID136612713
Molecular FormulaC39H26N2
Molecular Weight522.65 g/mol
Exact Mass522.21
IUPAC Name5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole
SMILESc1ccc(-c2nc3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc3[nH]2)cc1
InChIInChI=1S/C39H26N2/c1-4-12-26(13-5-1)37-31-18-10-11-19-32(31)38(27-14-6-2-7-15-27)34-24-29(20-22-33(34)37)30-21-23-35-36(25-30)41-39(40-35)28-16-8-3-9-17-28/h1-25H,(H,40,41)
InChIKeyLDOFLRUMGYQRIF-UHFFFAOYSA-N
XLogP10.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole?
The IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole (CID 136612713) is 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole?
The canonical SMILES for 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole is c1ccc(-c2nc3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc3[nH]2)cc1.
What is the InChIKey of 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole?
The InChIKey is LDOFLRUMGYQRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2/c1-4-12-26(13-5-1)37-31-18-10-11-19-32(31)38(27-14-6-2-7-15-27)34-24-29(20-22-33(34)37)30-21-23-35-36(25-30)41-39(40-35)28-16-8-3-9-17-28/h1-25H,(H,40,41).
What are the key properties of 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole?
5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole has a molecular weight of 522.65 g/mol, XLogP of 10.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 136612713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).