2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole

C48H40N4 — CID 58554862

IUPAC2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole
SMILESc1ccc(C2=NC(c3cc4ccc3CCCc3ccc(cc3-c3nc(-c5ccccc5)c(-c5ccccc5)[nH]3)CCC4)N=C2c2ccccc2)cc1
InChIInChI=1S/C48H40N4/c1-5-17-37(18-6-1)43-44(38-19-7-2-8-20-38)50-47(49-43)41-31-33-15-13-16-34-28-30-36(26-14-25-35(41)29-27-33)42(32-34)48-51-45(39-21-9-3-10-22-39)46(52-48)40-23-11-4-12-24-40/h1-12,17-24,27-32,47H,13-16,25-26H2,(H,51,52)
InChIKeySBKYRJRWFCJGMY-UHFFFAOYSA-N
MW672.88 g/mol
LogP11.07
Rot. Bonds6

About 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole

2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole (PubChem CID 58554862) has the molecular formula C48H40N4 and a molecular weight of 672.88 g/mol. Its IUPAC name is 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole.

Molecular Properties

Compound Name2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole
PubChem CID58554862
Molecular FormulaC48H40N4
Molecular Weight672.88 g/mol
Exact Mass672.33
IUPAC Name2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole
SMILESc1ccc(C2=NC(c3cc4ccc3CCCc3ccc(cc3-c3nc(-c5ccccc5)c(-c5ccccc5)[nH]3)CCC4)N=C2c2ccccc2)cc1
InChIInChI=1S/C48H40N4/c1-5-17-37(18-6-1)43-44(38-19-7-2-8-20-38)50-47(49-43)41-31-33-15-13-16-34-28-30-36(26-14-25-35(41)29-27-33)42(32-34)48-51-45(39-21-9-3-10-22-39)46(52-48)40-23-11-4-12-24-40/h1-12,17-24,27-32,47H,13-16,25-26H2,(H,51,52)
InChIKeySBKYRJRWFCJGMY-UHFFFAOYSA-N
XLogP11.07
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 511.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Analyze 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole?
The IUPAC name of 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole (CID 58554862) is 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole.
What is the SMILES notation for 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole?
The canonical SMILES for 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole is c1ccc(C2=NC(c3cc4ccc3CCCc3ccc(cc3-c3nc(-c5ccccc5)c(-c5ccccc5)[nH]3)CCC4)N=C2c2ccccc2)cc1.
What is the InChIKey of 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole?
The InChIKey is SBKYRJRWFCJGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4/c1-5-17-37(18-6-1)43-44(38-19-7-2-8-20-38)50-47(49-43)41-31-33-15-13-16-34-28-30-36(26-14-25-35(41)29-27-33)42(32-34)48-51-45(39-21-9-3-10-22-39)46(52-48)40-23-11-4-12-24-40/h1-12,17-24,27-32,47H,13-16,25-26H2,(H,51,52).
What are the key properties of 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole?
2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole has a molecular weight of 672.88 g/mol, XLogP of 11.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[14-(4,5-diphenyl-1H-imidazol-2-yl)-6-tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaenyl]-4,5-diphenyl-2H-imidazole is sourced from PubChem (CID 58554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).