N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))

C149H133N15Pt3 — CID 160517482

IUPACN-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))
SMILESCc1cccc(C)c1N(c1[c-]c(N2CN(C(C)(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.Cc1cccc(C)c1N(c1[c-]c(N2CN(C(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.Cc1cccc(C)c1N(c1[c-]c(N2CN(C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C51H47N5.C50H45N5.C48H41N5.3Pt/c1-34(2)41-20-8-9-21-42(41)37-28-29-52-49(30-37)56-45-23-11-10-22-43(45)44-27-26-40(32-48(44)56)55(50-35(3)16-14-17-36(50)4)39-19-15-18-38(31-39)53-33-54(51(5,6)7)47-25-13-12-24-46(47)53;1-33(2)41-19-7-8-20-42(41)37-27-28-51-49(29-37)55-45-22-10-9-21-43(45)44-26-25-40(31-48(44)55)54(50-35(5)15-13-16-36(50)6)39-18-14-17-38(30-39)53-32-52(34(3)4)46-23-11-12-24-47(46)53;1-32(2)39-18-6-7-19-40(39)35-26-27-49-47(28-35)53-43-21-9-8-20-41(43)42-25-24-38(30-46(42)53)52(48-33(3)14-12-15-34(48)4)37-17-13-16-36(29-37)51-31-50(5)44-22-10-11-23-45(44)51;;;/h8-30,34H,33H2,1-7H3;7-29,33-34H,32H2,1-6H3;6-28,32H,31H2,1-5H3;;;/q3*-2;3*+2
InChIKeyREFNLGMNLPCPTH-UHFFFAOYSA-N
MW2719.04 g/mol
LogP38.54
Rot. Bonds22

About N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))

N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)) (PubChem CID 160517482) has the molecular formula C149H133N15Pt3 and a molecular weight of 2719.04 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)).

Molecular Properties

Compound NameN-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))
PubChem CID160517482
Molecular FormulaC149H133N15Pt3
Molecular Weight2719.04 g/mol
Exact Mass2716.98
IUPAC NameN-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))
SMILESCc1cccc(C)c1N(c1[c-]c(N2CN(C(C)(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.Cc1cccc(C)c1N(c1[c-]c(N2CN(C(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.Cc1cccc(C)c1N(c1[c-]c(N2CN(C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C51H47N5.C50H45N5.C48H41N5.3Pt/c1-34(2)41-20-8-9-21-42(41)37-28-29-52-49(30-37)56-45-23-11-10-22-43(45)44-27-26-40(32-48(44)56)55(50-35(3)16-14-17-36(50)4)39-19-15-18-38(31-39)53-33-54(51(5,6)7)47-25-13-12-24-46(47)53;1-33(2)41-19-7-8-20-42(41)37-27-28-51-49(29-37)55-45-22-10-9-21-43(45)44-26-25-40(31-48(44)55)54(50-35(5)15-13-16-36(50)6)39-18-14-17-38(30-39)53-32-52(34(3)4)46-23-11-12-24-47(46)53;1-32(2)39-18-6-7-19-40(39)35-26-27-49-47(28-35)53-43-21-9-8-20-41(43)42-25-24-38(30-46(42)53)52(48-33(3)14-12-15-34(48)4)37-17-13-16-36(29-37)51-31-50(5)44-22-10-11-23-45(44)51;;;/h8-30,34H,33H2,1-7H3;7-29,33-34H,32H2,1-6H3;6-28,32H,31H2,1-5H3;;;/q3*-2;3*+2
InChIKeyREFNLGMNLPCPTH-UHFFFAOYSA-N
XLogP38.54
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.04
LogP ≤ 538.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))?
The IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)) (CID 160517482) is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)).
What is the SMILES notation for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))?
The canonical SMILES for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)) is Cc1cccc(C)c1N(c1[c-]c(N2CN(C(C)(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.Cc1cccc(C)c1N(c1[c-]c(N2CN(C(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.Cc1cccc(C)c1N(c1[c-]c(N2CN(C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))?
The InChIKey is REFNLGMNLPCPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N5.C50H45N5.C48H41N5.3Pt/c1-34(2)41-20-8-9-21-42(41)37-28-29-52-49(30-37)56-45-23-11-10-22-43(45)44-27-26-40(32-48(44)56)55(50-35(3)16-14-17-36(50)4)39-19-15-18-38(31-39)53-33-54(51(5,6)7)47-25-13-12-24-46(47)53;1-33(2)41-19-7-8-20-42(41)37-27-28-51-49(29-37)55-45-22-10-9-21-43(45)44-26-25-40(31-48(44)55)54(50-35(5)15-13-16-36(50)6)39-18-14-17-38(30-39)53-32-52(34(3)4)46-23-11-12-24-47(46)53;1-32(2)39-18-6-7-19-40(39)35-26-27-49-47(28-35)53-43-21-9-8-20-41(43)42-25-24-38(30-46(42)53)52(48-33(3)14-12-15-34(48)4)37-17-13-16-36(29-37)51-31-50(5)44-22-10-11-23-45(44)51;;;/h8-30,34H,33H2,1-7H3;7-29,33-34H,32H2,1-6H3;6-28,32H,31H2,1-5H3;;;/q3*-2;3*+2.
What are the key properties of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+))?
N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)) has a molecular weight of 2719.04 g/mol, XLogP of 38.54, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;N-(2,6-dimethylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;tris(platinum(2+)) is sourced from PubChem (CID 160517482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).