2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C43H46N4OPt — CID 153415948

About 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415948) has the molecular formula C43H46N4OPt and a molecular weight of 829.95 g/mol. Its IUPAC name is 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415948
• Molecular Formula: C43H46N4OPt
• Molecular Weight: 829.95 g/mol
• Exact Mass: 829.33
• IUPAC Name: 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C(C)C)c(C3C(C)=CCC[C@@H]3C)c2C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C43H46N4O.Pt/c1-9-31-22-32(47-43(27(4)5)41(42(45-47)26(2)3)40-29(7)13-12-14-30(40)8)24-34(23-31)48-33-17-18-36-35-15-10-11-16-37(35)46(38(36)25-33)39-21-28(6)19-20-44-39;/h10-11,13,15-23,26-27,30,40H,9,12,14H2,1-8H3;/q-2;+2/t30-,40?;/m0./s1
• InChIKey: AMAJTTRSRUXTRD-UUMUBDTJSA-N
• XLogP: 11.33
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.95
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415948) is 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C(C)C)c(C3C(C)=CCC[C@@H]3C)c2C(C)C)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is AMAJTTRSRUXTRD-UUMUBDTJSA-N. The full InChI is InChI=1S/C43H46N4O.Pt/c1-9-31-22-32(47-43(27(4)5)41(42(45-47)26(2)3)40-29(7)13-12-14-30(40)8)24-34(23-31)48-33-17-18-36-35-15-10-11-16-37(35)46(38(36)25-33)39-21-28(6)19-20-44-39;/h10-11,13,15-23,26-27,30,40H,9,12,14H2,1-8H3;/q-2;+2/t30-,40?;/m0./s1.

What are the key properties of 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 829.95 g/mol, XLogP of 11.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).