CID 155616712

C37H24BN4OPt-3 — CID 155616712

IUPAC—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3B(c3ccccc3)c3cccc1c32.[Pt]
InChIInChI=1S/C37H24BN4O.Pt/c1-40-24-41-35-23-27(18-20-30(35)38(25-10-3-2-4-11-25)31-13-9-15-33(40)37(31)41)43-26-17-19-29-28-12-5-6-14-32(28)42(34(29)22-26)36-16-7-8-21-39-36;/h2-21,24H,1H3;/q-3;
InChIKeyOLYMYKRYPMIQTD-UHFFFAOYSA-N
MW746.52 g/mol
LogP6.11
Rot. Bonds4

About CID 155616712

CID 155616712 (PubChem CID 155616712) has the molecular formula C37H24BN4OPt-3 and a molecular weight of 746.52 g/mol.

Molecular Properties

Compound NameCID 155616712
PubChem CID155616712
Molecular FormulaC37H24BN4OPt-3
Molecular Weight746.52 g/mol
Exact Mass746.17
IUPAC Name—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3B(c3ccccc3)c3cccc1c32.[Pt]
InChIInChI=1S/C37H24BN4O.Pt/c1-40-24-41-35-23-27(18-20-30(35)38(25-10-3-2-4-11-25)31-13-9-15-33(40)37(31)41)43-26-17-19-29-28-12-5-6-14-32(28)42(34(29)22-26)36-16-7-8-21-39-36;/h2-21,24H,1H3;/q-3;
InChIKeyOLYMYKRYPMIQTD-UHFFFAOYSA-N
XLogP6.11
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.52
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 155616712 with MolForge

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

Launch Full Analysis

Related Compounds

CID 165374844
CID 165374844
CID 165374956
CID 165374956
CID 155616746
CID 155616746
CID 159650736
CID 159650736
2-[2,6-bis(3,5-diphenylphenyl)phenyl]-5-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][2,4,1]benzoxazaborinine-1,9-diide;2-(2,6-diphenylphenyl)-5-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][2,4,1]benzoxazaborinine-1,9-diide;2,5-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][2,4,1]benzoxazaborinine-1,9-diide;2-methyl-5-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][2,4,1]benzoxazaborinine-1,9-diide;platinum
CID 159223071
2-[3-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 155606575
2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum
CID 155616560
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 171610714
2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 164801839
CID 155616633
CID 155616633
2-[2,6-bis(3,5-diphenylphenyl)phenyl]-5-methyl-4-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;2,5-dimethyl-4-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;2-(2,6-diphenylphenyl)-5-methyl-4-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;5-methyl-2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;platinum
CID 159899918
CID 155616539
CID 155616539

Frequently Asked Questions

What is the IUPAC name of CID 155616712?
The IUPAC name of CID 155616712 (CID 155616712) is not available.
What is the SMILES notation for CID 155616712?
The canonical SMILES for CID 155616712 is CN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3B(c3ccccc3)c3cccc1c32.[Pt].
What is the InChIKey of CID 155616712?
The InChIKey is OLYMYKRYPMIQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24BN4O.Pt/c1-40-24-41-35-23-27(18-20-30(35)38(25-10-3-2-4-11-25)31-13-9-15-33(40)37(31)41)43-26-17-19-29-28-12-5-6-14-32(28)42(34(29)22-26)36-16-7-8-21-39-36;/h2-21,24H,1H3;/q-3;.
What are the key properties of CID 155616712?
CID 155616712 has a molecular weight of 746.52 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155616712 is sourced from PubChem (CID 155616712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).