4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum

C117H110N9O3Pt3-3 — CID 157062178

IUPAC4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[n-]c(-c3ccccc3O)nc2-c2ccccc2)nc(C(C)(C)c2ccccn2)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)nc(-c3cc(C(C)(C)C)ccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)[c-]c(-c2ccccc2O)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C46H48N3O.C39H31N2O.C32H31N4O.3Pt/c1-44(2,3)34-21-22-42(50)39(30-34)41-28-33(32-24-35(45(4,5)6)29-36(25-32)46(7,8)9)27-40(48-41)31-16-15-19-38(26-31)49(37-17-11-10-12-18-37)43-20-13-14-23-47-43;1-38(2,3)28-24-26(29-13-6-9-19-35(29)42)23-27(25-28)34-18-12-21-37(41-34)39(36-20-10-11-22-40-36)32-16-7-4-14-30(32)31-15-5-8-17-33(31)39;1-31(2,3)22-19-24(34-27(20-22)32(4,5)26-17-11-12-18-33-26)29-28(21-13-7-6-8-14-21)35-30(36-29)23-15-9-10-16-25(23)37;;;/h10-25,27-30,50H,1-9H3;4-22,24-25,42H,1-3H3;6-20H,1-5H3,(H-,34,35,36,37);;;/q3*-1;;;
InChIKeyJSCQMVABOIIVNQ-UHFFFAOYSA-N
MW2275.46 g/mol
LogP28.47
Rot. Bonds15

About 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum

4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum (PubChem CID 157062178) has the molecular formula C117H110N9O3Pt3-3 and a molecular weight of 2275.46 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum
PubChem CID157062178
Molecular FormulaC117H110N9O3Pt3-3
Molecular Weight2275.46 g/mol
Exact Mass2273.77
IUPAC Name4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[n-]c(-c3ccccc3O)nc2-c2ccccc2)nc(C(C)(C)c2ccccn2)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)nc(-c3cc(C(C)(C)C)ccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)[c-]c(-c2ccccc2O)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C46H48N3O.C39H31N2O.C32H31N4O.3Pt/c1-44(2,3)34-21-22-42(50)39(30-34)41-28-33(32-24-35(45(4,5)6)29-36(25-32)46(7,8)9)27-40(48-41)31-16-15-19-38(26-31)49(37-17-11-10-12-18-37)43-20-13-14-23-47-43;1-38(2,3)28-24-26(29-13-6-9-19-35(29)42)23-27(25-28)34-18-12-21-37(41-34)39(36-20-10-11-22-40-36)32-16-7-4-14-30(32)31-15-5-8-17-33(31)39;1-31(2,3)22-19-24(34-27(20-22)32(4,5)26-17-11-12-18-33-26)29-28(21-13-7-6-8-14-21)35-30(36-29)23-15-9-10-16-25(23)37;;;/h10-25,27-30,50H,1-9H3;4-22,24-25,42H,1-3H3;6-20H,1-5H3,(H-,34,35,36,37);;;/q3*-1;;;
InChIKeyJSCQMVABOIIVNQ-UHFFFAOYSA-N
XLogP28.47
TPSA168.26 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002275.46
LogP ≤ 528.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-N-[2-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-[10-(trifluoromethyl)benzo[g]quinazolin-4-yl]pyridin-2-amine;9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-2-amine;2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[4-tert-butyl-6-[(4-phenyl-2-pyridinyl)amino]-2-pyridinyl]benzimidazol-2-yl]phenol;platinum;platinum(2+)
CID 157080983
CID 157462522
CID 157462522
CID 158157518
CID 158157518
CID 158239006
CID 158239006
CID 158636196
CID 158636196
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;7,7-dimethyl-1,11-dihydrobenzo[a]phenalene-1,11-diide;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;bis(4-hydroxypent-3-en-2-one);tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159471047
CID 159570252
CID 159570252
CID 159810756
CID 159810756
CID 160843868
CID 160843868
CID 160984416
CID 160984416
CID 161157436
CID 161157436
CID 161881947
CID 161881947

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum (CID 157062178) is 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[n-]c(-c3ccccc3O)nc2-c2ccccc2)nc(C(C)(C)c2ccccn2)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)nc(-c3cc(C(C)(C)C)ccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)[c-]c(-c2ccccc2O)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum?
The InChIKey is JSCQMVABOIIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N3O.C39H31N2O.C32H31N4O.3Pt/c1-44(2,3)34-21-22-42(50)39(30-34)41-28-33(32-24-35(45(4,5)6)29-36(25-32)46(7,8)9)27-40(48-41)31-16-15-19-38(26-31)49(37-17-11-10-12-18-37)43-20-13-14-23-47-43;1-38(2,3)28-24-26(29-13-6-9-19-35(29)42)23-27(25-28)34-18-12-21-37(41-34)39(36-20-10-11-22-40-36)32-16-7-4-14-30(32)31-15-5-8-17-33(31)39;1-31(2,3)22-19-24(34-27(20-22)32(4,5)26-17-11-12-18-33-26)29-28(21-13-7-6-8-14-21)35-30(36-29)23-15-9-10-16-25(23)37;;;/h10-25,27-30,50H,1-9H3;4-22,24-25,42H,1-3H3;6-20H,1-5H3,(H-,34,35,36,37);;;/q3*-1;;;.
What are the key properties of 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum?
4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum has a molecular weight of 2275.46 g/mol, XLogP of 28.47, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]benzene-6-id-1-yl]phenol;2-[4-[4-tert-butyl-6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]-5-phenylimidazol-3-id-2-yl]phenol;platinum is sourced from PubChem (CID 157062178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).