9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))

C80H56N8OPt2 — CID 157298759

About 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))

9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+)) (PubChem CID 157298759) has the molecular formula C80H56N8OPt2 and a molecular weight of 1535.54 g/mol. Its IUPAC name is 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+)).

Molecular Properties

• Compound Name: 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))
• PubChem CID: 157298759
• Molecular Formula: C80H56N8OPt2
• Molecular Weight: 1535.54 g/mol
• Exact Mass: 1534.39
• IUPAC Name: 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))
• SMILES: CC(C)Cc1cc(-c2cc3c(cn2)oc2ccccc23)[c-]c(-n2c3[c-]c(-c4ccnc5cccnc45)ccc3c3ccccc32)c1.CC(C)Cc1cc(-c2cc3ccccc3cn2)[c-]c(-n2c3[c-]c(-c4ccnc5cccnc45)ccc3c3ccccc32)c1.[Pt+2].[Pt+2]
• InChI: InChI=1S/C41H28N4O.C39H28N4.2Pt/c1-25(2)18-26-19-28(36-23-34-33-9-4-6-12-39(33)46-40(34)24-44-36)21-29(20-26)45-37-11-5-3-8-31(37)32-14-13-27(22-38(32)45)30-15-17-42-35-10-7-16-43-41(30)35;1-25(2)18-26-19-30(36-22-27-8-3-4-9-29(27)24-42-36)21-31(20-26)43-37-12-6-5-10-33(37)34-14-13-28(23-38(34)43)32-15-17-40-35-11-7-16-41-39(32)35;;/h3-17,19-20,23-25H,18H2,1-2H3;3-17,19-20,22,24-25H,18H2,1-2H3;;/q2*-2;2*+2
• InChIKey: IMYQBBIGHURCLK-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 100.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1535.54
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))?

The IUPAC name of 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+)) (CID 157298759) is 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+)).

What is the SMILES notation for 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))?

The canonical SMILES for 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+)) is CC(C)Cc1cc(-c2cc3c(cn2)oc2ccccc23)[c-]c(-n2c3[c-]c(-c4ccnc5cccnc45)ccc3c3ccccc32)c1.CC(C)Cc1cc(-c2cc3ccccc3cn2)[c-]c(-n2c3[c-]c(-c4ccnc5cccnc45)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].

What is the InChIKey of 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))?

The InChIKey is IMYQBBIGHURCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O.C39H28N4.2Pt/c1-25(2)18-26-19-28(36-23-34-33-9-4-6-12-39(33)46-40(34)24-44-36)21-29(20-26)45-37-11-5-3-8-31(37)32-14-13-27(22-38(32)45)30-15-17-42-35-10-7-16-43-41(30)35;1-25(2)18-26-19-30(36-22-27-8-3-4-9-29(27)24-42-36)21-31(20-26)43-37-12-6-5-10-33(37)34-14-13-28(23-38(34)43)32-15-17-40-35-11-7-16-41-39(32)35;;/h3-17,19-20,23-25H,18H2,1-2H3;3-17,19-20,22,24-25H,18H2,1-2H3;;/q2*-2;2*+2.

What are the key properties of 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+))?

9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+)) has a molecular weight of 1535.54 g/mol, XLogP of 19.56, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-ide;3-[3-(2-methylpropyl)-5-[2-(1,5-naphthyridin-4-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridine;bis(platinum(2+)) is sourced from PubChem (CID 157298759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).