2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C154H116N20O4Pt4-12 — CID 163670056

IUPAC2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(ccn4C)cn3)cc(C(C)(C)C)c2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(ccn4C)cn3)ccc2)c2ccccc21.Cn1ccc2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccccc7)c7ccccc76)cc(C(C)(C)C)c5)ccc4c4ccccc43)cc21.Cn1ccc2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccccc7)c7ccccc76)ccc5)ccc4c4ccccc43)cc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C43H34N5O.C39H26N5O.C38H32N5O.C34H24N5O.4Pt/c1-43(2,3)30-22-32(47-28-46(31-12-6-5-7-13-31)38-16-10-11-17-39(38)47)24-34(23-30)49-33-18-19-36-35-14-8-9-15-37(35)48(41(36)25-33)42-26-40-29(27-44-42)20-21-45(40)4;1-41-21-20-27-25-40-39(24-37(27)41)44-34-15-6-5-14-32(34)33-19-18-31(23-38(33)44)45-30-13-9-12-29(22-30)43-26-42(28-10-3-2-4-11-28)35-16-7-8-17-36(35)43;1-38(2,3)26-18-27(42-24-41(5)33-12-8-9-13-34(33)42)20-29(19-26)44-28-14-15-31-30-10-6-7-11-32(30)43(36(31)21-28)37-22-35-25(23-39-37)16-17-40(35)4;1-36-17-16-23-21-35-34(20-32(23)36)39-29-11-4-3-10-27(29)28-15-14-26(19-33(28)39)40-25-9-7-8-24(18-25)38-22-37(2)30-12-5-6-13-31(30)38;;;;/h5-23,26-28H,1-4H3;2-21,24-26H,1H3;6-19,22-24H,1-5H3;3-17,20-22H,1-2H3;;;;/q4*-3;;;;
InChIKeyXMXMPUQTJKAYHI-UHFFFAOYSA-N
MW3091.07 g/mol
LogP37.07
Rot. Bonds18

About 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 163670056) has the molecular formula C154H116N20O4Pt4-12 and a molecular weight of 3091.07 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID163670056
Molecular FormulaC154H116N20O4Pt4-12
Molecular Weight3091.07 g/mol
Exact Mass3088.81
IUPAC Name2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(ccn4C)cn3)cc(C(C)(C)C)c2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(ccn4C)cn3)ccc2)c2ccccc21.Cn1ccc2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccccc7)c7ccccc76)cc(C(C)(C)C)c5)ccc4c4ccccc43)cc21.Cn1ccc2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccccc7)c7ccccc76)ccc5)ccc4c4ccccc43)cc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C43H34N5O.C39H26N5O.C38H32N5O.C34H24N5O.4Pt/c1-43(2,3)30-22-32(47-28-46(31-12-6-5-7-13-31)38-16-10-11-17-39(38)47)24-34(23-30)49-33-18-19-36-35-14-8-9-15-37(35)48(41(36)25-33)42-26-40-29(27-44-42)20-21-45(40)4;1-41-21-20-27-25-40-39(24-37(27)41)44-34-15-6-5-14-32(34)33-19-18-31(23-38(33)44)45-30-13-9-12-29(22-30)43-26-42(28-10-3-2-4-11-28)35-16-7-8-17-36(35)43;1-38(2,3)26-18-27(42-24-41(5)33-12-8-9-13-34(33)42)20-29(19-26)44-28-14-15-31-30-10-6-7-11-32(30)43(36(31)21-28)37-22-35-25(23-39-37)16-17-40(35)4;1-36-17-16-23-21-35-34(20-32(23)36)39-29-11-4-3-10-27(29)28-15-14-26(19-33(28)39)40-25-9-7-8-24(18-25)38-22-37(2)30-12-5-6-13-31(30)38;;;;/h5-23,26-28H,1-4H3;2-21,24-26H,1H3;6-19,22-24H,1-5H3;3-17,20-22H,1-2H3;;;;/q4*-3;;;;
InChIKeyXMXMPUQTJKAYHI-UHFFFAOYSA-N
XLogP37.07
TPSA153.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003091.07
LogP ≤ 537.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-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-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 163670056) is 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(ccn4C)cn3)cc(C(C)(C)C)c2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(ccn4C)cn3)ccc2)c2ccccc21.Cn1ccc2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccccc7)c7ccccc76)cc(C(C)(C)C)c5)ccc4c4ccccc43)cc21.Cn1ccc2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccccc7)c7ccccc76)ccc5)ccc4c4ccccc43)cc21.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is XMXMPUQTJKAYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N5O.C39H26N5O.C38H32N5O.C34H24N5O.4Pt/c1-43(2,3)30-22-32(47-28-46(31-12-6-5-7-13-31)38-16-10-11-17-39(38)47)24-34(23-30)49-33-18-19-36-35-14-8-9-15-37(35)48(41(36)25-33)42-26-40-29(27-44-42)20-21-45(40)4;1-41-21-20-27-25-40-39(24-37(27)41)44-34-15-6-5-14-32(34)33-19-18-31(23-38(33)44)45-30-13-9-12-29(22-30)43-26-42(28-10-3-2-4-11-28)35-16-7-8-17-36(35)43;1-38(2,3)26-18-27(42-24-41(5)33-12-8-9-13-34(33)42)20-29(19-26)44-28-14-15-31-30-10-6-7-11-32(30)43(36(31)21-28)37-22-35-25(23-39-37)16-17-40(35)4;1-36-17-16-23-21-35-34(20-32(23)36)39-29-11-4-3-10-27(29)28-15-14-26(19-33(28)39)40-25-9-7-8-24(18-25)38-22-37(2)30-12-5-6-13-31(30)38;;;;/h5-23,26-28H,1-4H3;2-21,24-26H,1H3;6-19,22-24H,1-5H3;3-17,20-22H,1-2H3;;;;/q4*-3;;;;.
What are the key properties of 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 3091.07 g/mol, XLogP of 37.07, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-1H-carbazol-1-ide;9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 163670056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).