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

C49H42N4O2Pt — CID 153416212

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

2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416212) has the molecular formula C49H42N4O2Pt and a molecular weight of 913.98 g/mol. Its IUPAC name is 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416212
• Molecular Formula: C49H42N4O2Pt
• Molecular Weight: 913.98 g/mol
• Exact Mass: 913.30
• IUPAC Name: 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6ccccc6)c(C6C(C)=C[C@H](C)C[C@@H]6C)c5-c5ccccc5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C49H42N4O2.Pt/c1-31-24-33(3)46(34(4)25-31)47-48(35-14-8-6-9-15-35)51-53(49(47)36-16-10-7-11-17-36)37-26-32(2)27-40(28-37)55-39-20-21-42-41-18-12-13-19-43(41)52(44(42)29-39)45-30-38(54-5)22-23-50-45;/h6-24,26-27,30-31,34,46H,25H2,1-5H3;/q-2;+2/t31-,34-,46?;/m0./s1
• InChIKey: YTQYKVBSOCXMAR-NNXKQXKMSA-N
• XLogP: 12.11
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.98
LogP ≤ 5	12.11
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 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416212) is 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6ccccc6)c(C6C(C)=C[C@H](C)C[C@@H]6C)c5-c5ccccc5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is YTQYKVBSOCXMAR-NNXKQXKMSA-N. The full InChI is InChI=1S/C49H42N4O2.Pt/c1-31-24-33(3)46(34(4)25-31)47-48(35-14-8-6-9-15-35)51-53(49(47)36-16-10-7-11-17-36)37-26-32(2)27-40(28-37)55-39-20-21-42-41-18-12-13-19-43(41)52(44(42)29-39)45-30-38(54-5)22-23-50-45;/h6-24,26-27,30-31,34,46H,25H2,1-5H3;/q-2;+2/t31-,34-,46?;/m0./s1.

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

2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 913.98 g/mol, XLogP of 12.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-diphenyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).