1,2-bis(3,5-diphenylphenyl)imidazole

C39H28N2 — CID 90181054

IUPAC1,2-bis(3,5-diphenylphenyl)imidazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nccn3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C39H28N2/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-40-21-22-41(39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H
InChIKeyAIFGSPINACYDPW-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.21
Rot. Bonds6

About 1,2-bis(3,5-diphenylphenyl)imidazole

1,2-bis(3,5-diphenylphenyl)imidazole (PubChem CID 90181054) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 1,2-bis(3,5-diphenylphenyl)imidazole.

Molecular Properties

Compound Name1,2-bis(3,5-diphenylphenyl)imidazole
PubChem CID90181054
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name1,2-bis(3,5-diphenylphenyl)imidazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nccn3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C39H28N2/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-40-21-22-41(39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H
InChIKeyAIFGSPINACYDPW-UHFFFAOYSA-N
XLogP10.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,5-diphenylphenyl)imidazole?
The IUPAC name of 1,2-bis(3,5-diphenylphenyl)imidazole (CID 90181054) is 1,2-bis(3,5-diphenylphenyl)imidazole.
What is the SMILES notation for 1,2-bis(3,5-diphenylphenyl)imidazole?
The canonical SMILES for 1,2-bis(3,5-diphenylphenyl)imidazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nccn3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 1,2-bis(3,5-diphenylphenyl)imidazole?
The InChIKey is AIFGSPINACYDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-40-21-22-41(39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H.
What are the key properties of 1,2-bis(3,5-diphenylphenyl)imidazole?
1,2-bis(3,5-diphenylphenyl)imidazole has a molecular weight of 524.67 g/mol, XLogP of 10.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,5-diphenylphenyl)imidazole is sourced from PubChem (CID 90181054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).