2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum

C37H24N5OPt-3 — CID 153492585

IUPAC2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c3c(cc2)Oc2ccccc2N3c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C37H24N5O.Pt/c1-39-24-40(32-16-5-4-15-31(32)39)25-19-20-36-34(23-25)41(33-17-6-7-18-35(33)43-36)26-10-8-11-27(22-26)42-30-14-3-2-12-28(30)29-13-9-21-38-37(29)42;/h2-21,24H,1H3;/q-3;
InChIKeyICZMWHAHRIYVAP-UHFFFAOYSA-N
MW749.71 g/mol
LogP9.06
Rot. Bonds3

About 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum

2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum (PubChem CID 153492585) has the molecular formula C37H24N5OPt-3 and a molecular weight of 749.71 g/mol. Its IUPAC name is 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum.

Molecular Properties

Compound Name2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum
PubChem CID153492585
Molecular FormulaC37H24N5OPt-3
Molecular Weight749.71 g/mol
Exact Mass749.16
IUPAC Name2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c3c(cc2)Oc2ccccc2N3c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C37H24N5O.Pt/c1-39-24-40(32-16-5-4-15-31(32)39)25-19-20-36-34(23-25)41(33-17-6-7-18-35(33)43-36)26-10-8-11-27(22-26)42-30-14-3-2-12-28(30)29-13-9-21-38-37(29)42;/h2-21,24H,1H3;/q-3;
InChIKeyICZMWHAHRIYVAP-UHFFFAOYSA-N
XLogP9.06
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.71
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
The IUPAC name of 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum (CID 153492585) is 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum.
What is the SMILES notation for 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
The canonical SMILES for 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum is CN1[CH-]N(c2[c-]c3c(cc2)Oc2ccccc2N3c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c2ccccc21.[Pt].
What is the InChIKey of 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
The InChIKey is ICZMWHAHRIYVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N5O.Pt/c1-39-24-40(32-16-5-4-15-31(32)39)25-19-20-36-34(23-25)41(33-17-6-7-18-35(33)43-36)26-10-8-11-27(22-26)42-30-14-3-2-12-28(30)29-13-9-21-38-37(29)42;/h2-21,24H,1H3;/q-3;.
What are the key properties of 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum has a molecular weight of 749.71 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-benzimidazol-2-id-1-yl)-10-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;platinum is sourced from PubChem (CID 153492585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).