3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))

C152H126N12Pt3 — CID 158367570

About 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))

3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+)) (PubChem CID 158367570) has the molecular formula C152H126N12Pt3 and a molecular weight of 2706.00 g/mol. Its IUPAC name is 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+)).

Molecular Properties

• Compound Name: 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))
• PubChem CID: 158367570
• Molecular Formula: C152H126N12Pt3
• Molecular Weight: 2706.00 g/mol
• Exact Mass: 2703.92
• IUPAC Name: 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))
• SMILES: CC(C)(C)c1ccc2[n-]c3c(-c4nc5c(-c6[c-]c(-c7cc(-c8ccccc8)ccn7)cc(-c7ccccc7)c6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.CC(C)(C)c1ccc2[n-]c3c(-c4nc5c(-c6[c-]c(-c7cc8ccccc8cn7)ccc6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.CC(C)(C)c1ccc2[n-]c3c(-c4nc5c(-c6[c-]c(-c7nccc8ccccc78)ccc6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C56H46N4.2C48H40N4.3Pt/c1-55(2,3)42-25-26-49-46(33-42)47-34-43(56(4,5)6)35-48(52(47)58-49)54-59-53-45(23-16-24-51(53)60(54)44-21-14-9-15-22-44)40-29-39(37-19-12-8-13-20-37)30-41(31-40)50-32-38(27-28-57-50)36-17-10-7-11-18-36;1-47(2,3)33-22-23-41-38(27-33)39-28-34(48(4,5)6)29-40(44(39)50-41)46-51-45-37(20-13-21-42(45)52(46)35-17-8-7-9-18-35)31-15-12-16-32(26-31)43-36-19-11-10-14-30(36)24-25-49-43;1-47(2,3)34-22-23-41-38(26-34)39-27-35(48(4,5)6)28-40(44(39)50-41)46-51-45-37(20-13-21-43(45)52(46)36-18-8-7-9-19-36)31-16-12-17-32(24-31)42-25-30-14-10-11-15-33(30)29-49-42;;;/h7-30,32-35H,1-6H3;7-25,27-29H,1-6H3;7-23,25-29H,1-6H3;;;/q3*-2;3*+2
• InChIKey: HOCHHWSNIQUACX-UHFFFAOYSA-N
• XLogP: 38.87
• TPSA: 134.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2706.00
LogP ≤ 5	38.87
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 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))?

The IUPAC name of 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+)) (CID 158367570) is 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+)).

What is the SMILES notation for 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))?

The canonical SMILES for 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+)) is CC(C)(C)c1ccc2[n-]c3c(-c4nc5c(-c6[c-]c(-c7cc(-c8ccccc8)ccn7)cc(-c7ccccc7)c6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.CC(C)(C)c1ccc2[n-]c3c(-c4nc5c(-c6[c-]c(-c7cc8ccccc8cn7)ccc6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.CC(C)(C)c1ccc2[n-]c3c(-c4nc5c(-c6[c-]c(-c7nccc8ccccc78)ccc6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))?

The InChIKey is HOCHHWSNIQUACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4.2C48H40N4.3Pt/c1-55(2,3)42-25-26-49-46(33-42)47-34-43(56(4,5)6)35-48(52(47)58-49)54-59-53-45(23-16-24-51(53)60(54)44-21-14-9-15-22-44)40-29-39(37-19-12-8-13-20-37)30-41(31-40)50-32-38(27-28-57-50)36-17-10-7-11-18-36;1-47(2,3)33-22-23-41-38(27-33)39-28-34(48(4,5)6)29-40(44(39)50-41)46-51-45-37(20-13-21-42(45)52(46)35-17-8-7-9-18-35)31-15-12-16-32(26-31)43-36-19-11-10-14-30(36)24-25-49-43;1-47(2,3)34-22-23-41-38(26-34)39-27-35(48(4,5)6)28-40(44(39)50-41)46-51-45-37(20-13-21-43(45)52(46)36-18-8-7-9-19-36)31-16-12-17-32(24-31)42-25-30-14-10-11-15-33(30)29-49-42;;;/h7-30,32-35H,1-6H3;7-25,27-29H,1-6H3;7-23,25-29H,1-6H3;;;/q3*-2;3*+2.

What are the key properties of 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))?

3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+)) has a molecular weight of 2706.00 g/mol, XLogP of 38.87, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-1-[4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-phenylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+)) is sourced from PubChem (CID 158367570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).