N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C155H128N13O3Pt3-9 — CID 163666884

IUPACN,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCN(C)c1ccc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(C)c8ccccc87)ccc6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5cccc6c5ccc5ccccc56)C5CC6CC(C5)CC4C6)ccn3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5cccc6ccccc56)C5CC6CC(C5)CC4C6)ccn3)ccc2)c2ccccc21.[Pt].[Pt].[Pt]
InChIInChI=1S/C55H43N4O.C51H41N4O.C49H44N5O.3Pt/c1-57-34-58(52-19-7-6-18-51(52)57)41-11-8-12-42(32-41)60-43-21-23-48-47-14-4-5-17-50(47)59(53(48)33-43)54-31-38(24-25-56-54)55(39-27-35-26-36(29-39)30-40(55)28-35)49-16-9-15-45-44-13-3-2-10-37(44)20-22-46(45)49;1-53-32-54(48-19-7-6-18-47(48)53)39-12-9-13-40(30-39)56-41-20-21-44-43-15-4-5-17-46(43)55(49(44)31-41)50-29-36(22-23-52-50)51(37-25-33-24-34(27-37)28-38(51)26-33)45-16-8-11-35-10-2-3-14-42(35)45;1-51(2)38-17-15-34(16-18-38)49(36-24-32-23-33(26-36)27-37(49)25-32)35-21-22-50-48(28-35)54-44-12-5-4-11-42(44)43-20-19-41(30-47(43)54)55-40-10-8-9-39(29-40)53-31-52(3)45-13-6-7-14-46(45)53;;;/h2-25,31,34-36,39-40H,26-30H2,1H3;2-23,29,32-34,37-38H,24-28H2,1H3;4-22,28,31-33,36-37H,23-27H2,1-3H3;;;/q3*-3;;;
InChIKeyVEQSEZVGNFYVBL-UHFFFAOYSA-N
MW2806.05 g/mol
LogP36.58
Rot. Bonds19

About N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 163666884) has the molecular formula C155H128N13O3Pt3-9 and a molecular weight of 2806.05 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID163666884
Molecular FormulaC155H128N13O3Pt3-9
Molecular Weight2806.05 g/mol
Exact Mass2803.93
IUPAC NameN,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCN(C)c1ccc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(C)c8ccccc87)ccc6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5cccc6c5ccc5ccccc56)C5CC6CC(C5)CC4C6)ccn3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5cccc6ccccc56)C5CC6CC(C5)CC4C6)ccn3)ccc2)c2ccccc21.[Pt].[Pt].[Pt]
InChIInChI=1S/C55H43N4O.C51H41N4O.C49H44N5O.3Pt/c1-57-34-58(52-19-7-6-18-51(52)57)41-11-8-12-42(32-41)60-43-21-23-48-47-14-4-5-17-50(47)59(53(48)33-43)54-31-38(24-25-56-54)55(39-27-35-26-36(29-39)30-40(55)28-35)49-16-9-15-45-44-13-3-2-10-37(44)20-22-46(45)49;1-53-32-54(48-19-7-6-18-47(48)53)39-12-9-13-40(30-39)56-41-20-21-44-43-15-4-5-17-46(43)55(49(44)31-41)50-29-36(22-23-52-50)51(37-25-33-24-34(27-37)28-38(51)26-33)45-16-8-11-35-10-2-3-14-42(35)45;1-51(2)38-17-15-34(16-18-38)49(36-24-32-23-33(26-36)27-37(49)25-32)35-21-22-50-48(28-35)54-44-12-5-4-11-42(44)43-20-19-41(30-47(43)54)55-40-10-8-9-39(29-40)53-31-52(3)45-13-6-7-14-46(45)53;;;/h2-25,31,34-36,39-40H,26-30H2,1H3;2-23,29,32-34,37-38H,24-28H2,1H3;4-22,28,31-33,36-37H,23-27H2,1-3H3;;;/q3*-3;;;
InChIKeyVEQSEZVGNFYVBL-UHFFFAOYSA-N
XLogP36.58
TPSA103.83 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002806.05
LogP ≤ 536.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 163666884) is N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CN(C)c1ccc(C2(c3ccnc(-n4c5[c-]c(Oc6[c-]c(N7[CH-]N(C)c8ccccc87)ccc6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5cccc6c5ccc5ccccc56)C5CC6CC(C5)CC4C6)ccn3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4(c5cccc6ccccc56)C5CC6CC(C5)CC4C6)ccn3)ccc2)c2ccccc21.[Pt].[Pt].[Pt].
What is the InChIKey of N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is VEQSEZVGNFYVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N4O.C51H41N4O.C49H44N5O.3Pt/c1-57-34-58(52-19-7-6-18-51(52)57)41-11-8-12-42(32-41)60-43-21-23-48-47-14-4-5-17-50(47)59(53(48)33-43)54-31-38(24-25-56-54)55(39-27-35-26-36(29-39)30-40(55)28-35)49-16-9-15-45-44-13-3-2-10-37(44)20-22-46(45)49;1-53-32-54(48-19-7-6-18-47(48)53)39-12-9-13-40(30-39)56-41-20-21-44-43-15-4-5-17-46(43)55(49(44)31-41)50-29-36(22-23-52-50)51(37-25-33-24-34(27-37)28-38(51)26-33)45-16-8-11-35-10-2-3-14-42(35)45;1-51(2)38-17-15-34(16-18-38)49(36-24-32-23-33(26-36)27-37(49)25-32)35-21-22-50-48(28-35)54-44-12-5-4-11-42(44)43-20-19-41(30-47(43)54)55-40-10-8-9-39(29-40)53-31-52(3)45-13-6-7-14-46(45)53;;;/h2-25,31,34-36,39-40H,26-30H2,1H3;2-23,29,32-34,37-38H,24-28H2,1H3;4-22,28,31-33,36-37H,23-27H2,1-3H3;;;/q3*-3;;;.
What are the key properties of N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 2806.05 g/mol, XLogP of 36.58, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-2-adamantyl]aniline;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-naphthalen-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 163666884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).