2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C181H162N9O3Pt3-3 — CID 157463974

IUPAC2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1.[2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3)c2)cc1.[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc3)cc(-c3ccccc3)c2)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C62H52N3O.C60H56N3O.C59H54N3O.3Pt/c1-61(2,3)50-30-28-45(29-31-50)52-33-32-51(62(4,5)6)40-57(52)65-56-22-15-21-53(59(56)64-60(65)54-20-13-14-23-58(54)66)48-36-47(42-18-11-8-12-19-42)37-49(38-48)55-39-46(34-35-63-55)44-26-24-43(25-27-44)41-16-9-7-10-17-41;1-58(2,3)46-26-22-40(23-27-46)42-32-33-61-52(37-42)45-35-43(39-16-11-10-12-17-39)34-44(36-45)50-19-15-20-53-56(50)62-57(51-18-13-14-21-55(51)64)63(53)54-38-48(60(7,8)9)30-31-49(54)41-24-28-47(29-25-41)59(4,5)6;1-38(2)39-21-23-41(24-22-39)43-31-32-60-52(36-43)46-34-44(40-15-10-9-11-16-40)33-45(35-46)50-18-14-19-53-56(50)61-57(51-17-12-13-20-55(51)63)62(53)54-37-48(59(6,7)8)29-30-49(54)42-25-27-47(28-26-42)58(3,4)5;;;/h7-37,39-40,66H,1-6H3;10-35,37-38,64H,1-9H3;9-34,36-38,63H,1-8H3;;;/q3*-1;;;/i;1D3,2D3,3D3,22D,23D,26D,27D;38D;;;
InChIKeyFZVRTSCUSSFKEX-POSOBVRXSA-N
MW3110.67 g/mol
LogP47.65
Rot. Bonds23

About 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 157463974) has the molecular formula C181H162N9O3Pt3-3 and a molecular weight of 3110.67 g/mol. Its IUPAC name is 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID157463974
Molecular FormulaC181H162N9O3Pt3-3
Molecular Weight3110.67 g/mol
Exact Mass3108.26
IUPAC Name2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1.[2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3)c2)cc1.[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc3)cc(-c3ccccc3)c2)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C62H52N3O.C60H56N3O.C59H54N3O.3Pt/c1-61(2,3)50-30-28-45(29-31-50)52-33-32-51(62(4,5)6)40-57(52)65-56-22-15-21-53(59(56)64-60(65)54-20-13-14-23-58(54)66)48-36-47(42-18-11-8-12-19-42)37-49(38-48)55-39-46(34-35-63-55)44-26-24-43(25-27-44)41-16-9-7-10-17-41;1-58(2,3)46-26-22-40(23-27-46)42-32-33-61-52(37-42)45-35-43(39-16-11-10-12-17-39)34-44(36-45)50-19-15-20-53-56(50)62-57(51-18-13-14-21-55(51)64)63(53)54-38-48(60(7,8)9)30-31-49(54)41-24-28-47(29-25-41)59(4,5)6;1-38(2)39-21-23-41(24-22-39)43-31-32-60-52(36-43)46-34-44(40-15-10-9-11-16-40)33-45(35-46)50-18-14-19-53-56(50)61-57(51-17-12-13-20-55(51)63)62(53)54-37-48(59(6,7)8)29-30-49(54)42-25-27-47(28-26-42)58(3,4)5;;;/h7-37,39-40,66H,1-6H3;10-35,37-38,64H,1-9H3;9-34,36-38,63H,1-8H3;;;/q3*-1;;;/i;1D3,2D3,3D3,22D,23D,26D,27D;38D;;;
InChIKeyFZVRTSCUSSFKEX-POSOBVRXSA-N
XLogP47.65
TPSA152.82 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003110.67
LogP ≤ 547.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 157463974) is 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1.[2H]C(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)c3)c2)cc1.[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc3)cc(-c3ccccc3)c2)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is FZVRTSCUSSFKEX-POSOBVRXSA-N. The full InChI is InChI=1S/C62H52N3O.C60H56N3O.C59H54N3O.3Pt/c1-61(2,3)50-30-28-45(29-31-50)52-33-32-51(62(4,5)6)40-57(52)65-56-22-15-21-53(59(56)64-60(65)54-20-13-14-23-58(54)66)48-36-47(42-18-11-8-12-19-42)37-49(38-48)55-39-46(34-35-63-55)44-26-24-43(25-27-44)41-16-9-7-10-17-41;1-58(2,3)46-26-22-40(23-27-46)42-32-33-61-52(37-42)45-35-43(39-16-11-10-12-17-39)34-44(36-45)50-19-15-20-53-56(50)62-57(51-18-13-14-21-55(51)64)63(53)54-38-48(60(7,8)9)30-31-49(54)41-24-28-47(29-25-41)59(4,5)6;1-38(2)39-21-23-41(24-22-39)43-31-32-60-52(36-43)46-34-44(40-15-10-9-11-16-40)33-45(35-46)50-18-14-19-53-56(50)61-57(51-17-12-13-20-55(51)63)62(53)54-37-48(59(6,7)8)29-30-49(54)42-25-27-47(28-26-42)58(3,4)5;;;/h7-37,39-40,66H,1-6H3;10-35,37-38,64H,1-9H3;9-34,36-38,63H,1-8H3;;;/q3*-1;;;/i;1D3,2D3,3D3,22D,23D,26D,27D;38D;;;.
What are the key properties of 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 3110.67 g/mol, XLogP of 47.65, 23 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157463974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).