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

C47H54N4O2Pt — CID 153417795

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

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417795) has the molecular formula C47H54N4O2Pt and a molecular weight of 902.05 g/mol. Its IUPAC name is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417795
• Molecular Formula: C47H54N4O2Pt
• Molecular Weight: 902.05 g/mol
• Exact Mass: 901.39
• IUPAC Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)[c-]c(-n2nc(C(C)C)c(C3C(C)=C(C)[C@H](C)[C@H](C)[C@@H]3C)c2C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C47H54N4O2.Pt/c1-12-15-34-22-35(51-47(28(4)5)45(46(49-51)27(2)3)44-32(9)30(7)29(6)31(8)33(44)10)24-38(23-34)53-37-18-19-40-39-16-13-14-17-41(39)50(42(40)25-37)43-26-36(52-11)20-21-48-43;/h13-14,16-23,26-30,32,44H,12,15H2,1-11H3;/q-2;+2/t29-,30+,32+,44?;/m1./s1
• InChIKey: KOERBYKPHJNWOU-WSOGTTBSSA-N
• XLogP: 12.30
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.05
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153417795) is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)[c-]c(-n2nc(C(C)C)c(C3C(C)=C(C)[C@H](C)[C@H](C)[C@@H]3C)c2C(C)C)c1.[Pt+2].

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

The InChIKey is KOERBYKPHJNWOU-WSOGTTBSSA-N. The full InChI is InChI=1S/C47H54N4O2.Pt/c1-12-15-34-22-35(51-47(28(4)5)45(46(49-51)27(2)3)44-32(9)30(7)29(6)31(8)33(44)10)24-38(23-34)53-37-18-19-40-39-16-13-14-17-41(39)50(42(40)25-37)43-26-36(52-11)20-21-48-43;/h13-14,16-23,26-30,32,44H,12,15H2,1-11H3;/q-2;+2/t29-,30+,32+,44?;/m1./s1.

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

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 902.05 g/mol, XLogP of 12.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[(4R,5R,6S)-2,3,4,5,6-pentamethylcyclohex-2-en-1-yl]-3,5-di(propan-2-yl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).