1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole

C45H30N2 — CID 58953775

IUPAC1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C45H30N2/c1-5-15-31(16-6-1)35-25-28-42-41(29-35)46-45(34-21-11-4-12-22-34)47(42)36-26-27-39-40(30-36)44(33-19-9-3-10-20-33)38-24-14-13-23-37(38)43(39)32-17-7-2-8-18-32/h1-30H
InChIKeyPLGHBXHUHQPFOI-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.00
Rot. Bonds5

About 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole

1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole (PubChem CID 58953775) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole.

Molecular Properties

Compound Name1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
PubChem CID58953775
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C45H30N2/c1-5-15-31(16-6-1)35-25-28-42-41(29-35)46-45(34-21-11-4-12-22-34)47(42)36-26-27-39-40(30-36)44(33-19-9-3-10-20-33)38-24-14-13-23-37(38)43(39)32-17-7-2-8-18-32/h1-30H
InChIKeyPLGHBXHUHQPFOI-UHFFFAOYSA-N
XLogP12.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.00
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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Frequently Asked Questions

What is the IUPAC name of 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole?
The IUPAC name of 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole (CID 58953775) is 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole.
What is the SMILES notation for 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole?
The canonical SMILES for 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole is c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole?
The InChIKey is PLGHBXHUHQPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-5-15-31(16-6-1)35-25-28-42-41(29-35)46-45(34-21-11-4-12-22-34)47(42)36-26-27-39-40(30-36)44(33-19-9-3-10-20-33)38-24-14-13-23-37(38)43(39)32-17-7-2-8-18-32/h1-30H.
What are the key properties of 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole?
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole has a molecular weight of 598.75 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole is sourced from PubChem (CID 58953775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).