platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine

C38H34N6OPt — CID 153413097

About platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine

platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine (PubChem CID 153413097) has the molecular formula C38H34N6OPt and a molecular weight of 785.81 g/mol. Its IUPAC name is platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine
• PubChem CID: 153413097
• Molecular Formula: C38H34N6OPt
• Molecular Weight: 785.81 g/mol
• Exact Mass: 785.24
• IUPAC Name: platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(N(C)C)cccc3N(C)C)cn2)c1.[Pt+2]
• InChI: InChI=1S/C38H34N6O.Pt/c1-25-16-17-39-37(20-25)44-33-11-8-7-10-31(33)32-15-14-29(22-36(32)44)45-30-19-26(2)18-28(21-30)43-24-27(23-40-43)38-34(41(3)4)12-9-13-35(38)42(5)6;/h7-20,23-24H,1-6H3;/q-2;+2
• InChIKey: VNCGBMVEMTUIDF-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 51.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.81
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine?

The IUPAC name of platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine (CID 153413097) is platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine.

What is the SMILES notation for platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine?

The canonical SMILES for platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(N(C)C)cccc3N(C)C)cn2)c1.[Pt+2].

What is the InChIKey of platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine?

The InChIKey is VNCGBMVEMTUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N6O.Pt/c1-25-16-17-39-37(20-25)44-33-11-8-7-10-31(33)32-15-14-29(22-36(32)44)45-30-19-26(2)18-28(21-30)43-24-27(23-40-43)38-34(41(3)4)12-9-13-35(38)42(5)6;/h7-20,23-24H,1-6H3;/q-2;+2.

What are the key properties of platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine?

platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine has a molecular weight of 785.81 g/mol, XLogP of 8.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine is sourced from PubChem (CID 153413097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).