2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C173H167N12O3Pt3-9 — CID 157337354

IUPAC2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c3ccccc32)c1.CC(C)c1cccc(C(C)C)c1-c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c1.Cc1cc2c(cc1C)N(c1cccc(C(C)(C)C)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(-c2ccccc2C(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C62H59N4O.C56H55N4O.C55H53N4O.3Pt/c1-40(2)51-22-18-23-52(41(3)4)60(51)44-33-48(65-39-64(56-25-16-17-26-57(56)65)47-32-43(42-19-12-11-13-20-42)31-46(35-47)62(8,9)10)37-50(34-44)67-49-27-28-54-53-21-14-15-24-55(53)66(58(54)38-49)59-36-45(29-30-63-59)61(5,6)7;1-36(2)45-20-16-21-46(37(3)4)54(45)38-17-15-18-41(29-38)58-35-59(51-24-14-13-23-50(51)58)42-30-40(56(8,9)10)31-44(33-42)61-43-25-26-48-47-19-11-12-22-49(47)60(52(48)34-43)53-32-39(27-28-57-53)55(5,6)7;1-35(2)45-18-11-12-19-46(45)38-28-42(58-34-57(51-26-36(3)37(4)27-52(51)58)41-17-15-16-39(30-41)54(5,6)7)32-44(29-38)60-43-22-23-48-47-20-13-14-21-49(47)59(50(48)33-43)53-31-40(24-25-56-53)55(8,9)10;;;/h11-36,39-41H,1-10H3;11-32,35-37H,1-10H3;11-31,34-35H,1-10H3;;;/q3*-3;;;
InChIKeyMYELRIGFZFTYBG-UHFFFAOYSA-N
MW3047.55 g/mol
LogP47.62
Rot. Bonds24

About 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 157337354) has the molecular formula C173H167N12O3Pt3-9 and a molecular weight of 3047.55 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
PubChem CID157337354
Molecular FormulaC173H167N12O3Pt3-9
Molecular Weight3047.55 g/mol
Exact Mass3045.23
IUPAC Name2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c3ccccc32)c1.CC(C)c1cccc(C(C)C)c1-c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c1.Cc1cc2c(cc1C)N(c1cccc(C(C)(C)C)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(-c2ccccc2C(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C62H59N4O.C56H55N4O.C55H53N4O.3Pt/c1-40(2)51-22-18-23-52(41(3)4)60(51)44-33-48(65-39-64(56-25-16-17-26-57(56)65)47-32-43(42-19-12-11-13-20-42)31-46(35-47)62(8,9)10)37-50(34-44)67-49-27-28-54-53-21-14-15-24-55(53)66(58(54)38-49)59-36-45(29-30-63-59)61(5,6)7;1-36(2)45-20-16-21-46(37(3)4)54(45)38-17-15-18-41(29-38)58-35-59(51-24-14-13-23-50(51)58)42-30-40(56(8,9)10)31-44(33-42)61-43-25-26-48-47-19-11-12-22-49(47)60(52(48)34-43)53-32-39(27-28-57-53)55(5,6)7;1-35(2)45-18-11-12-19-46(45)38-28-42(58-34-57(51-26-36(3)37(4)27-52(51)58)41-17-15-16-39(30-41)54(5,6)7)32-44(29-38)60-43-22-23-48-47-20-13-14-21-49(47)59(50(48)33-43)53-31-40(24-25-56-53)55(8,9)10;;;/h11-36,39-41H,1-10H3;11-32,35-37H,1-10H3;11-31,34-35H,1-10H3;;;/q3*-3;;;
InChIKeyMYELRIGFZFTYBG-UHFFFAOYSA-N
XLogP47.62
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003047.55
LogP ≤ 547.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 157337354) is 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c3ccccc32)c1.CC(C)c1cccc(C(C)C)c1-c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c1.Cc1cc2c(cc1C)N(c1cccc(C(C)(C)C)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(-c2ccccc2C(C)C)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The InChIKey is MYELRIGFZFTYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H59N4O.C56H55N4O.C55H53N4O.3Pt/c1-40(2)51-22-18-23-52(41(3)4)60(51)44-33-48(65-39-64(56-25-16-17-26-57(56)65)47-32-43(42-19-12-11-13-20-42)31-46(35-47)62(8,9)10)37-50(34-44)67-49-27-28-54-53-21-14-15-24-55(53)66(58(54)38-49)59-36-45(29-30-63-59)61(5,6)7;1-36(2)45-20-16-21-46(37(3)4)54(45)38-17-15-18-41(29-38)58-35-59(51-24-14-13-23-50(51)58)42-30-40(56(8,9)10)31-44(33-42)61-43-25-26-48-47-19-11-12-22-49(47)60(52(48)34-43)53-32-39(27-28-57-53)55(5,6)7;1-35(2)45-18-11-12-19-46(45)38-28-42(58-34-57(51-26-36(3)37(4)27-52(51)58)41-17-15-16-39(30-41)54(5,6)7)32-44(29-38)60-43-22-23-48-47-20-13-14-21-49(47)59(50(48)33-43)53-31-40(24-25-56-53)55(8,9)10;;;/h11-36,39-41H,1-10H3;11-32,35-37H,1-10H3;11-31,34-35H,1-10H3;;;/q3*-3;;;.
What are the key properties of 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 3047.55 g/mol, XLogP of 47.62, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]-5-(2-propan-2-ylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 157337354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).