2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum

C110H104Ir2N6O8PdPt-2 — CID 158302424

IUPAC2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1cc(C2=CC=CCC2O)nc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)c1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3nccc4ccccc34)cc21.Oc1ccccc1-c1cccc(-c2cccc(C3=CC=CCC3O)n2)n1.[Ir].[Ir].[Pd].[Pt]
InChIInChI=1S/C30H34N2O2.2C24H18N.C22H18N2O2.2C5H8O2.2Ir.Pd.Pt/c1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23;25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;2*1-4(6)3-5(2)7;;;;/h7-13,15-18,28,33-34H,14H2,1-6H3;2*3-10,12-15H,1-2H3;1-13,22,25-26H,14H2;2*3,6H,1-2H3;;;;/q;2*-1;;;;;;;
InChIKeyRMYLKOWTIYYKSN-UHFFFAOYSA-N
MW2324.01 g/mol
LogP25.12
Rot. Bonds10

About 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum

2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum (PubChem CID 158302424) has the molecular formula C110H104Ir2N6O8PdPt-2 and a molecular weight of 2324.01 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum.

Molecular Properties

Compound Name2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum
PubChem CID158302424
Molecular FormulaC110H104Ir2N6O8PdPt-2
Molecular Weight2324.01 g/mol
Exact Mass2323.59
IUPAC Name2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1cc(C2=CC=CCC2O)nc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)c1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3nccc4ccccc34)cc21.Oc1ccccc1-c1cccc(-c2cccc(C3=CC=CCC3O)n2)n1.[Ir].[Ir].[Pd].[Pt]
InChIInChI=1S/C30H34N2O2.2C24H18N.C22H18N2O2.2C5H8O2.2Ir.Pd.Pt/c1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23;25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;2*1-4(6)3-5(2)7;;;;/h7-13,15-18,28,33-34H,14H2,1-6H3;2*3-10,12-15H,1-2H3;1-13,22,25-26H,14H2;2*3,6H,1-2H3;;;;/q;2*-1;;;;;;;
InChIKeyRMYLKOWTIYYKSN-UHFFFAOYSA-N
XLogP25.12
TPSA232.86 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002324.01
LogP ≤ 525.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum with MolForge

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Related Compounds

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-phenyl-1,3-benzothiazole
CID 161198840
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylquinoline;2-phenyl-1H-naphthalen-1-ide;2-phenylpyridine
CID 160979873
CID 158078780
CID 158078780
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid
CID 159306833
2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;4-(4-tert-butylbenzene-6-id-1-yl)thieno[3,2-c]quinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-phenylthieno[3,2-c]pyridine
CID 159746682
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 159047004
(9,9-dimethyl-7-quinolin-2-yl-6H-fluoren-6-id-2-yl)-trimethylsilane;bis(4-hydroxypent-3-en-2-one);heptakis(iridium);bis(4-methyl-1-phenylisoquinoline);bis(1-phenylisoquinoline);bis(2-(phenylmethyl)pyridine);tetrakis(2-phenylpyridine)
CID 160870176
bis(2-(9,9-dimethylfluoren-2-yl)-7-ethyl-9,9-dimethylfluorene);4-hydroxypent-3-en-2-one;iridium;bis(1-phenylisoquinoline)
CID 159758590
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(cyclopenten-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);1-phenylisoquinoline;bis(2-phenylpyridine);2-prop-1-enylquinoline
CID 161169648
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
CID 160614248
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4,6-diphenylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 162471382
bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);iridium(3+);pentane-2,4-dione
CID 172907496

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum?
The IUPAC name of 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum (CID 158302424) is 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum.
What is the SMILES notation for 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum?
The canonical SMILES for 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1cc(C2=CC=CCC2O)nc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)c1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3nccc4ccccc34)cc21.Oc1ccccc1-c1cccc(-c2cccc(C3=CC=CCC3O)n2)n1.[Ir].[Ir].[Pd].[Pt].
What is the InChIKey of 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum?
The InChIKey is RMYLKOWTIYYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2.2C24H18N.C22H18N2O2.2C5H8O2.2Ir.Pd.Pt/c1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23;25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;2*1-4(6)3-5(2)7;;;;/h7-13,15-18,28,33-34H,14H2,1-6H3;2*3-10,12-15H,1-2H3;1-13,22,25-26H,14H2;2*3,6H,1-2H3;;;;/q;2*-1;;;;;;;.
What are the key properties of 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum?
2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum has a molecular weight of 2324.01 g/mol, XLogP of 25.12, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-6-[4-tert-butyl-6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[6-[6-(6-hydroxycyclohexa-1,3-dien-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;bis(4-hydroxypent-3-en-2-one);bis(iridium);palladium;platinum is sourced from PubChem (CID 158302424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).