9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile

C153H108N25O5Pt5-15 — CID 161241518

IUPAC9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile
SMILESCC1=C(C)N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3ccccn3)ccc2)[CH-]N1C.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3ccc(C(C)(C)C)cn3)ccc2)[CH-]1.[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(C)[CH-]5)cc([N+]#[C-])c4)ccc3c3ccccc32)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2ccccn2)[c-]c(N2C=CN(C)[CH-]2)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2C=CN(C)[CH-]2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C34H22N5O.C32H26N5O.C30H22N5O.C29H20N5O.C28H18N5O.5Pt/c1-35-26-19-27(38-17-16-37(2)23-38)21-29(20-26)40-28-12-13-30-31-18-25(24-8-4-3-5-9-24)11-14-32(31)39(33(30)22-28)34-10-6-7-15-36-34;1-32(2,3)23-9-13-31(34-20-23)37-29-12-8-22(19-33)16-28(29)27-11-10-26(18-30(27)37)38-25-7-5-6-24(17-25)36-15-14-35(4)21-36;1-20-21(2)34(19-33(20)3)23-7-6-8-24(16-23)36-25-11-12-26-27-15-22(18-31)10-13-28(27)35(29(26)17-25)30-9-4-5-14-32-30;1-20-10-11-31-29(14-20)34-27-7-5-4-6-25(27)26-9-8-23(18-28(26)34)35-24-16-21(30-2)15-22(17-24)33-13-12-32(3)19-33;1-29-20-15-21(32-14-13-31(2)19-32)17-23(16-20)34-22-10-11-25-24-7-3-4-8-26(24)33(27(25)18-22)28-9-5-6-12-30-28;;;;;/h3-20,23H,2H3;5-16,20-21H,1-4H3;4-15,19H,1-3H3;4-16,19H,1,3H3;3-16,19H,2H3;;;;;/q5*-3;;;;;/i;;;1D3;;;;;;
InChIKeyLUTYMTLIACGEOK-CVYGNXQUSA-N
MW3355.13 g/mol
LogP35.00
Rot. Bonds22

About 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile

9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile (PubChem CID 161241518) has the molecular formula C153H108N25O5Pt5-15 and a molecular weight of 3355.13 g/mol. Its IUPAC name is 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile.

Molecular Properties

Compound Name9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile
PubChem CID161241518
Molecular FormulaC153H108N25O5Pt5-15
Molecular Weight3355.13 g/mol
Exact Mass3352.75
IUPAC Name9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile
SMILESCC1=C(C)N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3ccccn3)ccc2)[CH-]N1C.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3ccc(C(C)(C)C)cn3)ccc2)[CH-]1.[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(C)[CH-]5)cc([N+]#[C-])c4)ccc3c3ccccc32)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2ccccn2)[c-]c(N2C=CN(C)[CH-]2)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2C=CN(C)[CH-]2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C34H22N5O.C32H26N5O.C30H22N5O.C29H20N5O.C28H18N5O.5Pt/c1-35-26-19-27(38-17-16-37(2)23-38)21-29(20-26)40-28-12-13-30-31-18-25(24-8-4-3-5-9-24)11-14-32(31)39(33(30)22-28)34-10-6-7-15-36-34;1-32(2,3)23-9-13-31(34-20-23)37-29-12-8-22(19-33)16-28(29)27-11-10-26(18-30(27)37)38-25-7-5-6-24(17-25)36-15-14-35(4)21-36;1-20-21(2)34(19-33(20)3)23-7-6-8-24(16-23)36-25-11-12-26-27-15-22(18-31)10-13-28(27)35(29(26)17-25)30-9-4-5-14-32-30;1-20-10-11-31-29(14-20)34-27-7-5-4-6-25(27)26-9-8-23(18-28(26)34)35-24-16-21(30-2)15-22(17-24)33-13-12-32(3)19-33;1-29-20-15-21(32-14-13-31(2)19-32)17-23(16-20)34-22-10-11-25-24-7-3-4-8-26(24)33(27(25)18-22)28-9-5-6-12-30-28;;;;;/h3-20,23H,2H3;5-16,20-21H,1-4H3;4-15,19H,1-3H3;4-16,19H,1,3H3;3-16,19H,2H3;;;;;/q5*-3;;;;;/i;;;1D3;;;;;;
InChIKeyLUTYMTLIACGEOK-CVYGNXQUSA-N
XLogP35.00
TPSA228.31 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003355.13
LogP ≤ 535.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 153490660
9-(4-tert-butyl-2-pyridinyl)-8-isocyano-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide-4-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-2-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-4-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 157288645
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155651968
2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))
CID 158405397
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-imidazol-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-butyl-5-(3,5-ditert-butylphenyl)phenyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 160531431
6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169289059
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168836099
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 168830498
2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 177082830
2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155652197
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-(2,4,5-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155651636
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155651671

Frequently Asked Questions

What is the IUPAC name of 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile?
The IUPAC name of 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile (CID 161241518) is 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile.
What is the SMILES notation for 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile?
The canonical SMILES for 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile is CC1=C(C)N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3ccccn3)ccc2)[CH-]N1C.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3ccc(C(C)(C)C)cn3)ccc2)[CH-]1.[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(C)[CH-]5)cc([N+]#[C-])c4)ccc3c3ccccc32)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2ccccn2)[c-]c(N2C=CN(C)[CH-]2)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2C=CN(C)[CH-]2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile?
The InChIKey is LUTYMTLIACGEOK-CVYGNXQUSA-N. The full InChI is InChI=1S/C34H22N5O.C32H26N5O.C30H22N5O.C29H20N5O.C28H18N5O.5Pt/c1-35-26-19-27(38-17-16-37(2)23-38)21-29(20-26)40-28-12-13-30-31-18-25(24-8-4-3-5-9-24)11-14-32(31)39(33(30)22-28)34-10-6-7-15-36-34;1-32(2,3)23-9-13-31(34-20-23)37-29-12-8-22(19-33)16-28(29)27-11-10-26(18-30(27)37)38-25-7-5-6-24(17-25)36-15-14-35(4)21-36;1-20-21(2)34(19-33(20)3)23-7-6-8-24(16-23)36-25-11-12-26-27-15-22(18-31)10-13-28(27)35(29(26)17-25)30-9-4-5-14-32-30;1-20-10-11-31-29(14-20)34-27-7-5-4-6-25(27)26-9-8-23(18-28(26)34)35-24-16-21(30-2)15-22(17-24)33-13-12-32(3)19-33;1-29-20-15-21(32-14-13-31(2)19-32)17-23(16-20)34-22-10-11-25-24-7-3-4-8-26(24)33(27(25)18-22)28-9-5-6-12-30-28;;;;;/h3-20,23H,2H3;5-16,20-21H,1-4H3;4-15,19H,1-3H3;4-16,19H,1,3H3;3-16,19H,2H3;;;;;/q5*-3;;;;;/i;;;1D3;;;;;;.
What are the key properties of 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile?
9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile has a molecular weight of 3355.13 g/mol, XLogP of 35.00, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-isocyano-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-pyridin-2-yl-7-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile is sourced from PubChem (CID 161241518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).