9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C42H33N5O2Pt — CID 153415226

IUPAC9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
SMILESCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(OC)c(-c6ccc(C)cc6)c5-c5ccncc5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C42H33N5O2.Pt/c1-5-29-16-21-44-39(24-29)46-37-9-7-6-8-35(37)36-15-14-33(26-38(36)46)49-34-23-28(3)22-32(25-34)47-41(31-17-19-43-20-18-31)40(42(45-47)48-4)30-12-10-27(2)11-13-30;/h6-24H,5H2,1-4H3;/q-2;+2
InChIKeyDQKFDCRULNNTQL-UHFFFAOYSA-N
MW834.84 g/mol
LogP9.67
Rot. Bonds8

About 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415226) has the molecular formula C42H33N5O2Pt and a molecular weight of 834.84 g/mol. Its IUPAC name is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
PubChem CID153415226
Molecular FormulaC42H33N5O2Pt
Molecular Weight834.84 g/mol
Exact Mass834.23
IUPAC Name9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
SMILESCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(OC)c(-c6ccc(C)cc6)c5-c5ccncc5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C42H33N5O2.Pt/c1-5-29-16-21-44-39(24-29)46-37-9-7-6-8-35(37)36-15-14-33(26-38(36)46)49-34-23-28(3)22-32(25-34)47-41(31-17-19-43-20-18-31)40(42(45-47)48-4)30-12-10-27(2)11-13-30;/h6-24H,5H2,1-4H3;/q-2;+2
InChIKeyDQKFDCRULNNTQL-UHFFFAOYSA-N
XLogP9.67
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.84
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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1-[(3-Methoxyphenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
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US10954240, Example 17
CID 118930219
US9725449, Example 343
CID 122694945
5-(1-Methylpyrazol-3-yl)-7-[5-[[2-(oxan-4-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304043
3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 162664304
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US10023570, Example 744
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US10023570, Example 451
CID 126740297

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153415226) is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(OC)c(-c6ccc(C)cc6)c5-c5ccncc5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is DQKFDCRULNNTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N5O2.Pt/c1-5-29-16-21-44-39(24-29)46-37-9-7-6-8-35(37)36-15-14-33(26-38(36)46)49-34-23-28(3)22-32(25-34)47-41(31-17-19-43-20-18-31)40(42(45-47)48-4)30-12-10-27(2)11-13-30;/h6-24H,5H2,1-4H3;/q-2;+2.
What are the key properties of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?
9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 834.84 g/mol, XLogP of 9.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).