10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum

C37H22N5OPt-3 — CID 153492593

IUPAC10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum
SMILES[Pt].[c-]1c(N2c3[c-]c(-n4[c-]ccc4)ccc3Oc3ccccc32)cccc1-n1cc(-n2c3ccccc3c3ccccc32)cn1
InChIInChI=1S/C37H22N5O.Pt/c1-3-14-32-30(12-1)31-13-2-4-15-33(31)42(32)29-24-38-40(25-29)27-10-9-11-28(22-27)41-34-16-5-6-17-36(34)43-37-19-18-26(23-35(37)41)39-20-7-8-21-39;/h1-20,24-25H;/q-3;
InChIKeyLSCBOAQSVUGZES-UHFFFAOYSA-N
MW747.70 g/mol
LogP8.73
Rot. Bonds4

About 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum

10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum (PubChem CID 153492593) has the molecular formula C37H22N5OPt-3 and a molecular weight of 747.70 g/mol. Its IUPAC name is 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum.

Molecular Properties

Compound Name10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum
PubChem CID153492593
Molecular FormulaC37H22N5OPt-3
Molecular Weight747.70 g/mol
Exact Mass747.15
IUPAC Name10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum
SMILES[Pt].[c-]1c(N2c3[c-]c(-n4[c-]ccc4)ccc3Oc3ccccc32)cccc1-n1cc(-n2c3ccccc3c3ccccc32)cn1
InChIInChI=1S/C37H22N5O.Pt/c1-3-14-32-30(12-1)31-13-2-4-15-33(31)42(32)29-24-38-40(25-29)27-10-9-11-28(22-27)41-34-16-5-6-17-36(34)43-37-19-18-26(23-35(37)41)39-20-7-8-21-39;/h1-20,24-25H;/q-3;
InChIKeyLSCBOAQSVUGZES-UHFFFAOYSA-N
XLogP8.73
TPSA40.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.70
LogP ≤ 58.73
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
The IUPAC name of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum (CID 153492593) is 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum.
What is the SMILES notation for 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
The canonical SMILES for 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum is [Pt].[c-]1c(N2c3[c-]c(-n4[c-]ccc4)ccc3Oc3ccccc32)cccc1-n1cc(-n2c3ccccc3c3ccccc32)cn1.
What is the InChIKey of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
The InChIKey is LSCBOAQSVUGZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N5O.Pt/c1-3-14-32-30(12-1)31-13-2-4-15-33(31)42(32)29-24-38-40(25-29)27-10-9-11-28(22-27)41-34-16-5-6-17-36(34)43-37-19-18-26(23-35(37)41)39-20-7-8-21-39;/h1-20,24-25H;/q-3;.
What are the key properties of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum?
10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum has a molecular weight of 747.70 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-(2H-pyrrol-2-id-1-yl)-1H-phenoxazin-1-ide;platinum is sourced from PubChem (CID 153492593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).