2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C55H45F3N3OPt- — CID 170542314

IUPAC2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(F)(F)F)cc5)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C55H45F3N3O.Pt/c1-53(2,3)41-27-38(28-42(33-41)54(4,5)6)39-31-48(60-49(32-39)45-15-8-10-17-52(45)62)37-13-11-12-36(26-37)47-30-35(24-25-59-47)34-18-23-51-46(29-34)44-14-7-9-16-50(44)61(51)43-21-19-40(20-22-43)55(56,57)58;/h7-25,27-33,62H,1-6H3;/q-1;
InChIKeyRLPMAFCODNVUSZ-UHFFFAOYSA-N
MW1016.06 g/mol
LogP15.03
Rot. Bonds6

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 170542314) has the molecular formula C55H45F3N3OPt- and a molecular weight of 1016.06 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
PubChem CID170542314
Molecular FormulaC55H45F3N3OPt-
Molecular Weight1016.06 g/mol
Exact Mass1015.32
IUPAC Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(F)(F)F)cc5)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C55H45F3N3O.Pt/c1-53(2,3)41-27-38(28-42(33-41)54(4,5)6)39-31-48(60-49(32-39)45-15-8-10-17-52(45)62)37-13-11-12-36(26-37)47-30-35(24-25-59-47)34-18-23-51-46(29-34)44-14-7-9-16-50(44)61(51)43-21-19-40(20-22-43)55(56,57)58;/h7-25,27-33,62H,1-6H3;/q-1;
InChIKeyRLPMAFCODNVUSZ-UHFFFAOYSA-N
XLogP15.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.06
LogP ≤ 515.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-Hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol
CID 46702394
9-Ethyl-3-[[(9-ethyl-4-hydroxycarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]carbazol-4-ol
CID 46702395
3-[[(4-Hydroxy-9-prop-2-enylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-prop-2-enylcarbazol-4-ol
CID 46702396
3-[[[4-Hydroxy-9-(3-methylbut-2-enyl)carbazol-3-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]-9-(3-methylbut-2-enyl)carbazol-4-ol
CID 46702397
3-[[(2-Hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol
CID 46704261
4-pyridin-3-yl-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]methyl]pentan-2-yl]phenol
CID 60026287
4-pyridin-3-yl-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]methyl]pentan-2-yl]phenol
CID 60026392
6-[15-(1,1-Difluoroethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8-tetraen-3-ol
CID 89136987
2-[4-(3,5-Ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol
CID 136012898
2-[4-(3,5-Ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol
CID 136635372
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157253808
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);1-methyl-4-phenylbenzene-5-ide;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157533924

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 170542314) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(F)(F)F)cc5)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is RLPMAFCODNVUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45F3N3O.Pt/c1-53(2,3)41-27-38(28-42(33-41)54(4,5)6)39-31-48(60-49(32-39)45-15-8-10-17-52(45)62)37-13-11-12-36(26-37)47-30-35(24-25-59-47)34-18-23-51-46(29-34)44-14-7-9-16-50(44)61(51)43-21-19-40(20-22-43)55(56,57)58;/h7-25,27-33,62H,1-6H3;/q-1;.
What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 1016.06 g/mol, XLogP of 15.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170542314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).