2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C29H22N4OPt — CID 140742617

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)nc1.[Pt+2]
InChIInChI=1S/C29H22N4O.Pt/c1-19-11-14-29(30-18-19)32-27-10-5-4-9-25(27)26-13-12-24(17-28(26)32)34-23-8-6-7-22(16-23)33-21(3)15-20(2)31-33;/h4-15,18H,1-3H3;/q-2;+2
InChIKeyKEEGHKBGYVFBMK-UHFFFAOYSA-N
MW637.60 g/mol
LogP6.68
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140742617) has the molecular formula C29H22N4OPt and a molecular weight of 637.60 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID140742617
Molecular FormulaC29H22N4OPt
Molecular Weight637.60 g/mol
Exact Mass637.14
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)nc1.[Pt+2]
InChIInChI=1S/C29H22N4O.Pt/c1-19-11-14-29(30-18-19)32-27-10-5-4-9-25(27)26-13-12-24(17-28(26)32)34-23-8-6-7-22(16-23)33-21(3)15-20(2)31-33;/h4-15,18H,1-3H3;/q-2;+2
InChIKeyKEEGHKBGYVFBMK-UHFFFAOYSA-N
XLogP6.68
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.60
LogP ≤ 56.68
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

US10954240, Example 47
CID 118930313
Dihydropyrrolopyrazole, 12
CID 21992881
2-Methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,6]naphthyridine
CID 118708356
9-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine
CID 118708357
1-Benzyl-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168281222
US10954240, Example 3
CID 118930309
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine
CID 166629140
US10954240, Example 1
CID 118917375
US10954240, Example 19
CID 118917379
US10954240, Example 9
CID 118930220
US10954240, Example 68
CID 118930245
US10954240, Example 50
CID 118930273

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 140742617) is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)nc1.[Pt+2].
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is KEEGHKBGYVFBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O.Pt/c1-19-11-14-29(30-18-19)32-27-10-5-4-9-25(27)26-13-12-24(17-28(26)32)34-23-8-6-7-22(16-23)33-21(3)15-20(2)31-33;/h4-15,18H,1-3H3;/q-2;+2.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 637.60 g/mol, XLogP of 6.68, 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-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(5-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140742617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).