6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C175H195N12O3Pt3-9 — CID 157362742

IUPAC6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc32)c1.CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(C(C)(C)C)cc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.CC(C)c1cc(C(C)C)c(-c2cccc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccc(C(C)(C)C)cc5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c2)c(C(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C63H69N4O.2C56H63N4O.3Pt/c1-39(2)43-30-53(40(3)4)60(54(31-43)41(5)6)42-19-18-20-47(29-42)65-38-66(56-22-17-16-21-55(56)65)48-32-46(63(13,14)15)33-50(36-48)68-49-24-26-52-51-25-23-44(61(7,8)9)34-57(51)67(58(52)37-49)59-35-45(27-28-64-59)62(10,11)12;1-52(2,3)36-17-16-18-41(27-36)58-35-59(48-24-20-38(31-50(48)58)54(7,8)9)42-28-40(56(13,14)15)29-44(33-42)61-43-21-22-45-46-30-37(53(4,5)6)19-23-47(46)60(49(45)34-43)51-32-39(25-26-57-51)55(10,11)12;1-52(2,3)36-17-16-18-41(27-36)58-35-59(50-31-38(54(7,8)9)20-24-47(50)58)42-28-40(56(13,14)15)29-44(33-42)61-43-21-23-46-45-22-19-37(53(4,5)6)30-48(45)60(49(46)34-43)51-32-39(25-26-57-51)55(10,11)12;;;/h16-35,38-41H,1-15H3;2*16-32,35H,1-15H3;;;/q3*-3;;;
InChIKeyXDVGBZPINPXAIR-UHFFFAOYSA-N
MW3099.80 g/mol
LogP48.84
Rot. Bonds19

About 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum

6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 157362742) has the molecular formula C175H195N12O3Pt3-9 and a molecular weight of 3099.80 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID157362742
Molecular FormulaC175H195N12O3Pt3-9
Molecular Weight3099.80 g/mol
Exact Mass3097.45
IUPAC Name6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc32)c1.CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(C(C)(C)C)cc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.CC(C)c1cc(C(C)C)c(-c2cccc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccc(C(C)(C)C)cc5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c2)c(C(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C63H69N4O.2C56H63N4O.3Pt/c1-39(2)43-30-53(40(3)4)60(54(31-43)41(5)6)42-19-18-20-47(29-42)65-38-66(56-22-17-16-21-55(56)65)48-32-46(63(13,14)15)33-50(36-48)68-49-24-26-52-51-25-23-44(61(7,8)9)34-57(51)67(58(52)37-49)59-35-45(27-28-64-59)62(10,11)12;1-52(2,3)36-17-16-18-41(27-36)58-35-59(48-24-20-38(31-50(48)58)54(7,8)9)42-28-40(56(13,14)15)29-44(33-42)61-43-21-22-45-46-30-37(53(4,5)6)19-23-47(46)60(49(45)34-43)51-32-39(25-26-57-51)55(10,11)12;1-52(2,3)36-17-16-18-41(27-36)58-35-59(50-31-38(54(7,8)9)20-24-47(50)58)42-28-40(56(13,14)15)29-44(33-42)61-43-21-23-46-45-22-19-37(53(4,5)6)30-48(45)60(49(46)34-43)51-32-39(25-26-57-51)55(10,11)12;;;/h16-35,38-41H,1-15H3;2*16-32,35H,1-15H3;;;/q3*-3;;;
InChIKeyXDVGBZPINPXAIR-UHFFFAOYSA-N
XLogP48.84
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003099.80
LogP ≤ 548.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 157362742) is 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc32)c1.CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(C(C)(C)C)cc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.CC(C)c1cc(C(C)C)c(-c2cccc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccc(C(C)(C)C)cc5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c2)c(C(C)C)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is XDVGBZPINPXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H69N4O.2C56H63N4O.3Pt/c1-39(2)43-30-53(40(3)4)60(54(31-43)41(5)6)42-19-18-20-47(29-42)65-38-66(56-22-17-16-21-55(56)65)48-32-46(63(13,14)15)33-50(36-48)68-49-24-26-52-51-25-23-44(61(7,8)9)34-57(51)67(58(52)37-49)59-35-45(27-28-64-59)62(10,11)12;1-52(2,3)36-17-16-18-41(27-36)58-35-59(48-24-20-38(31-50(48)58)54(7,8)9)42-28-40(56(13,14)15)29-44(33-42)61-43-21-22-45-46-30-37(53(4,5)6)19-23-47(46)60(49(45)34-43)51-32-39(25-26-57-51)55(10,11)12;1-52(2,3)36-17-16-18-41(27-36)58-35-59(50-31-38(54(7,8)9)20-24-47(50)58)42-28-40(56(13,14)15)29-44(33-42)61-43-21-23-46-45-22-19-37(53(4,5)6)30-48(45)60(49(46)34-43)51-32-39(25-26-57-51)55(10,11)12;;;/h16-35,38-41H,1-15H3;2*16-32,35H,1-15H3;;;/q3*-3;;;.
What are the key properties of 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 3099.80 g/mol, XLogP of 48.84, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-tert-butyl-5-[6-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 157362742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).