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

C33H25N4OPt-3 — CID 155606575

IUPAC2-[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
SMILESCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(C)c3cc(C)ccc32)c1.[Pt]
InChIInChI=1S/C33H25N4O.Pt/c1-22-11-14-30-32(18-22)35(3)21-36(30)24-16-23(2)17-26(19-24)38-25-12-13-28-27-8-4-5-9-29(27)37(31(28)20-25)33-10-6-7-15-34-33;/h4-18,21H,1-3H3;/q-3;
InChIKeyCNAGVYMRITWSRV-UHFFFAOYSA-N
MW688.67 g/mol
LogP7.89
Rot. Bonds4

About 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

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 (PubChem CID 155606575) has the molecular formula C33H25N4OPt-3 and a molecular weight of 688.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID155606575
Molecular FormulaC33H25N4OPt-3
Molecular Weight688.67 g/mol
Exact Mass688.17
IUPAC Name2-[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
SMILESCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(C)c3cc(C)ccc32)c1.[Pt]
InChIInChI=1S/C33H25N4O.Pt/c1-22-11-14-30-32(18-22)35(3)21-36(30)24-16-23(2)17-26(19-24)38-25-12-13-28-27-8-4-5-9-29(27)37(31(28)20-25)33-10-6-7-15-34-33;/h4-18,21H,1-3H3;/q-3;
InChIKeyCNAGVYMRITWSRV-UHFFFAOYSA-N
XLogP7.89
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.67
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-methyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 155636163
2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 169021355
2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum
CID 162771976
2-[3-(3,5-ditert-butylphenyl)-5-[3-(2,4-difluorophenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 172533803
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
9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
CID 168848437
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
3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum
CID 162476114
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[[5-(3-methyl-2H-benzimidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
CID 169289074
6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum
CID 162772039
6-[3-tert-butyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum
CID 162771897
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169288998

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(C)c3cc(C)ccc32)c1.[Pt].
What is the InChIKey of 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?
The InChIKey is CNAGVYMRITWSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N4O.Pt/c1-22-11-14-30-32(18-22)35(3)21-36(30)24-16-23(2)17-26(19-24)38-25-12-13-28-27-8-4-5-9-29(27)37(31(28)20-25)33-10-6-7-15-34-33;/h4-18,21H,1-3H3;/q-3;.
What are the key properties of 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?
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 has a molecular weight of 688.67 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155606575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).