4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol

C48H40N4O2 — CID 58554885

IUPAC4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3cc4ccc3CCCc3ccc(cc3-c3nc(-c5ccccc5)c(-c5ccccc5)[nH]3)CCC4)[nH]c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C48H40N4O2/c53-39-25-21-37(22-26-39)45-46(38-23-27-40(54)28-24-38)52-48(51-45)42-30-32-10-7-9-31-17-19-33(15-8-16-34(42)20-18-32)41(29-31)47-49-43(35-11-3-1-4-12-35)44(50-47)36-13-5-2-6-14-36/h1-6,11-14,17-30,53-54H,7-10,15-16H2,(H,49,50)(H,51,52)
InChIKeyUCHXVATUVUFSNE-UHFFFAOYSA-N
MW704.87 g/mol
LogP11.21
Rot. Bonds6

About 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol

4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol (PubChem CID 58554885) has the molecular formula C48H40N4O2 and a molecular weight of 704.87 g/mol. Its IUPAC name is 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol
PubChem CID58554885
Molecular FormulaC48H40N4O2
Molecular Weight704.87 g/mol
Exact Mass704.32
IUPAC Name4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3cc4ccc3CCCc3ccc(cc3-c3nc(-c5ccccc5)c(-c5ccccc5)[nH]3)CCC4)[nH]c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C48H40N4O2/c53-39-25-21-37(22-26-39)45-46(38-23-27-40(54)28-24-38)52-48(51-45)42-30-32-10-7-9-31-17-19-33(15-8-16-34(42)20-18-32)41(29-31)47-49-43(35-11-3-1-4-12-35)44(50-47)36-13-5-2-6-14-36/h1-6,11-14,17-30,53-54H,7-10,15-16H2,(H,49,50)(H,51,52)
InChIKeyUCHXVATUVUFSNE-UHFFFAOYSA-N
XLogP11.21
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 511.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol 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 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol (CID 58554885) is 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol is Oc1ccc(-c2nc(-c3cc4ccc3CCCc3ccc(cc3-c3nc(-c5ccccc5)c(-c5ccccc5)[nH]3)CCC4)[nH]c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol?
The InChIKey is UCHXVATUVUFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4O2/c53-39-25-21-37(22-26-39)45-46(38-23-27-40(54)28-24-38)52-48(51-45)42-30-32-10-7-9-31-17-19-33(15-8-16-34(42)20-18-32)41(29-31)47-49-43(35-11-3-1-4-12-35)44(50-47)36-13-5-2-6-14-36/h1-6,11-14,17-30,53-54H,7-10,15-16H2,(H,49,50)(H,51,52).
What are the key properties of 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol?
4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol has a molecular weight of 704.87 g/mol, XLogP of 11.21, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[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-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 58554885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).