3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))

C140H99N9Pt3 — CID 160803281

IUPAC3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)c2[n-]c3c(-c4cccc(-c5[c-]ccc(-c6ccccc6)c5)n4)cc(C(C)(C)C)cc3c2c1.[Pt+2].[Pt+2].[Pt+2].[c-]1ccc(-c2ccccc2)cc1-c1cccc(-c2cccc3c2[n-]c2c(-c4cc(-c5ccccc5)ccn4)cccc23)n1.[c-]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc3c2[n-]c2c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)cc23)n1
InChIInChI=1S/C52H33N3.C48H41N3.C40H25N3.3Pt/c1-6-16-35(17-7-1)40-26-27-53-49(32-40)46-30-41(36-18-8-2-9-19-36)28-44-45-29-42(37-20-10-3-11-21-37)31-47(52(45)55-51(44)46)50-34-43(38-22-12-4-13-23-38)33-48(54-50)39-24-14-5-15-25-39;1-47(2,3)36-27-38-39-28-37(48(4,5)6)30-41(44-26-34(23-24-49-44)32-17-11-8-12-18-32)46(39)51-45(38)40(29-36)43-22-14-21-42(50-43)35-20-13-19-33(25-35)31-15-9-7-10-16-31;1-3-11-27(12-4-1)29-15-7-16-31(25-29)36-21-10-22-37(42-36)34-19-8-17-32-33-18-9-20-35(40(33)43-39(32)34)38-26-30(23-24-41-38)28-13-5-2-6-14-28;;;/h1-24,26-34H;7-19,21-30H,1-6H3;1-15,17-26H;;;/q3*-2;3*+2
InChIKeyOCQOTGREBUZTAB-UHFFFAOYSA-N
MW2492.63 g/mol
LogP35.55
Rot. Bonds17

About 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))

3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)) (PubChem CID 160803281) has the molecular formula C140H99N9Pt3 and a molecular weight of 2492.63 g/mol. Its IUPAC name is 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)).

Molecular Properties

Compound Name3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))
PubChem CID160803281
Molecular FormulaC140H99N9Pt3
Molecular Weight2492.63 g/mol
Exact Mass2490.70
IUPAC Name3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)c2[n-]c3c(-c4cccc(-c5[c-]ccc(-c6ccccc6)c5)n4)cc(C(C)(C)C)cc3c2c1.[Pt+2].[Pt+2].[Pt+2].[c-]1ccc(-c2ccccc2)cc1-c1cccc(-c2cccc3c2[n-]c2c(-c4cc(-c5ccccc5)ccn4)cccc23)n1.[c-]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc3c2[n-]c2c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)cc23)n1
InChIInChI=1S/C52H33N3.C48H41N3.C40H25N3.3Pt/c1-6-16-35(17-7-1)40-26-27-53-49(32-40)46-30-41(36-18-8-2-9-19-36)28-44-45-29-42(37-20-10-3-11-21-37)31-47(52(45)55-51(44)46)50-34-43(38-22-12-4-13-23-38)33-48(54-50)39-24-14-5-15-25-39;1-47(2,3)36-27-38-39-28-37(48(4,5)6)30-41(44-26-34(23-24-49-44)32-17-11-8-12-18-32)46(39)51-45(38)40(29-36)43-22-14-21-42(50-43)35-20-13-19-33(25-35)31-15-9-7-10-16-31;1-3-11-27(12-4-1)29-15-7-16-31(25-29)36-21-10-22-37(42-36)34-19-8-17-32-33-18-9-20-35(40(33)43-39(32)34)38-26-30(23-24-41-38)28-13-5-2-6-14-28;;;/h1-24,26-34H;7-19,21-30H,1-6H3;1-15,17-26H;;;/q3*-2;3*+2
InChIKeyOCQOTGREBUZTAB-UHFFFAOYSA-N
XLogP35.55
TPSA119.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms152
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002492.63
LogP ≤ 535.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))?
The IUPAC name of 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)) (CID 160803281) is 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)).
What is the SMILES notation for 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))?
The canonical SMILES for 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)) is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)c2[n-]c3c(-c4cccc(-c5[c-]ccc(-c6ccccc6)c5)n4)cc(C(C)(C)C)cc3c2c1.[Pt+2].[Pt+2].[Pt+2].[c-]1ccc(-c2ccccc2)cc1-c1cccc(-c2cccc3c2[n-]c2c(-c4cc(-c5ccccc5)ccn4)cccc23)n1.[c-]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc3c2[n-]c2c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)cc23)n1.
What is the InChIKey of 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))?
The InChIKey is OCQOTGREBUZTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3.C48H41N3.C40H25N3.3Pt/c1-6-16-35(17-7-1)40-26-27-53-49(32-40)46-30-41(36-18-8-2-9-19-36)28-44-45-29-42(37-20-10-3-11-21-37)31-47(52(45)55-51(44)46)50-34-43(38-22-12-4-13-23-38)33-48(54-50)39-24-14-5-15-25-39;1-47(2,3)36-27-38-39-28-37(48(4,5)6)30-41(44-26-34(23-24-49-44)32-17-11-8-12-18-32)46(39)51-45(38)40(29-36)43-22-14-21-42(50-43)35-20-13-19-33(25-35)31-15-9-7-10-16-31;1-3-11-27(12-4-1)29-15-7-16-31(25-29)36-21-10-22-37(42-36)34-19-8-17-32-33-18-9-20-35(40(33)43-39(32)34)38-26-30(23-24-41-38)28-13-5-2-6-14-28;;;/h1-24,26-34H;7-19,21-30H,1-6H3;1-15,17-26H;;;/q3*-2;3*+2.
What are the key properties of 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))?
3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)) has a molecular weight of 2492.63 g/mol, XLogP of 35.55, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+)) is sourced from PubChem (CID 160803281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).