3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid

C128H97F2Ir2N11O4Pt3-2 — CID 159831342

IUPAC3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
SMILESCC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4O)nc3c2n1.[Ir].[Ir].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C36H35N3.C36H24N2O2.C28H19N3.C11H6F2N.C11H8N.C6H5NO2.2Ir.3Pt/c1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;39-33-17-9-7-15-27(33)31-21-29(23-11-3-1-4-12-23)25-19-20-26-30(24-13-5-2-6-14-24)22-32(38-36(26)35(25)37-31)28-16-8-10-18-34(28)40;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;;/h7-20,23-25H,1-6H3;1-22,39-40H;1-12,14,16-21H;1-4,6-7H;1-6,8-9H;1-4H,(H,8,9);;;;;/q-2;;-2;2*-1;;;;;2*+2
InChIKeyMOKLBYLPJYJBMW-UHFFFAOYSA-N
MW2860.92 g/mol
LogP31.36
Rot. Bonds17

About 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid

3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid (PubChem CID 159831342) has the molecular formula C128H97F2Ir2N11O4Pt3-2 and a molecular weight of 2860.92 g/mol. Its IUPAC name is 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
PubChem CID159831342
Molecular FormulaC128H97F2Ir2N11O4Pt3-2
Molecular Weight2860.92 g/mol
Exact Mass2860.59
IUPAC Name3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
SMILESCC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4O)nc3c2n1.[Ir].[Ir].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C36H35N3.C36H24N2O2.C28H19N3.C11H6F2N.C11H8N.C6H5NO2.2Ir.3Pt/c1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;39-33-17-9-7-15-27(33)31-21-29(23-11-3-1-4-12-23)25-19-20-26-30(24-13-5-2-6-14-24)22-32(38-36(26)35(25)37-31)28-16-8-10-18-34(28)40;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;;/h7-20,23-25H,1-6H3;1-22,39-40H;1-12,14,16-21H;1-4,6-7H;1-6,8-9H;1-4H,(H,8,9);;;;;/q-2;;-2;2*-1;;;;;2*+2
InChIKeyMOKLBYLPJYJBMW-UHFFFAOYSA-N
XLogP31.36
TPSA200.25 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002860.92
LogP ≤ 531.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid with MolForge

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Related Compounds

4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157424244
2-(3,4-Diphenylbenzene-6-id-1-yl)-5-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+);pyridine-2-carboxylic acid
CID 157715994
6-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tris(12H-imidazo[1,2-f]phenanthridin-12-ide);pentakis(iridium);2-(methoxymethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pyridine-2-carboxylic acid;4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 158013725
2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 158112943
copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid
CID 158247939
2-Acetyl-3-hydroxycyclohex-2-en-1-one;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium);1-phenylisoquinoline;platinum;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 159444952
CID 159799959
CID 159799959
CID 160058950
CID 160058950
9-[3,5-bis(2-tert-butyl-7-methylcarbazol-9-yl)phenyl]-2-tert-butyl-7-methylcarbazole;2,7-ditert-butyl-9-[3-(2,7-ditert-butylcarbazol-9-yl)phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;iridium;platinum(2+);pyridine-2-carboxylic acid
CID 160200619
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4-hydroxypent-3-en-2-one;pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 160210729
4,7-di(butan-2-yl)-1,10-phenanthroline;4-(2,2-dimethylpropyl)-2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;3-(2,2-dimethylpropyl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;4-(2,2-dimethylpropyl)pyridine-2-carboxylic acid;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;gold(3+);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(iridium);5-(3-methylbutyl)-2-(4H-pyridin-4-id-3-yl)pyrimidine;phenylbenzene;platinum;propane;ruthenium;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
CID 160344475
bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 160659958

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?
The IUPAC name of 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid (CID 159831342) is 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?
The canonical SMILES for 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid is CC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4O)nc3c2n1.[Ir].[Ir].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?
The InChIKey is MOKLBYLPJYJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3.C36H24N2O2.C28H19N3.C11H6F2N.C11H8N.C6H5NO2.2Ir.3Pt/c1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;39-33-17-9-7-15-27(33)31-21-29(23-11-3-1-4-12-23)25-19-20-26-30(24-13-5-2-6-14-24)22-32(38-36(26)35(25)37-31)28-16-8-10-18-34(28)40;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;;/h7-20,23-25H,1-6H3;1-22,39-40H;1-12,14,16-21H;1-4,6-7H;1-6,8-9H;1-4H,(H,8,9);;;;;/q-2;;-2;2*-1;;;;;2*+2.
What are the key properties of 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?
3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid has a molecular weight of 2860.92 g/mol, XLogP of 31.36, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;bis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;bis(platinum(2+));pyridine-2-carboxylic acid is sourced from PubChem (CID 159831342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).