tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol

C145H185F3Mo3N5O5- — CID 158069919

IUPACtris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2O)CCCC3)c(C)c1.Oc1cccc2cccnc12.c1cc[n-]c1
InChIInChI=1S/C39H44O.C38H42O2.3C12H17N.C9H7NO.3C5H10.C4H7F3O.C4H4N.3Mo/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;1-21-15-23(3)33(24(4)16-21)31-19-27-11-7-9-13-29(27)35(37(31)39)36-30-14-10-8-12-28(30)20-32(38(36)40)34-25(5)17-22(2)18-26(34)6;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-5(2,3)4;1-3(2,8)4(5,6)7;1-2-4-5-3-1;;;/h16-21,40H,8-15H2,1-7H3;15-20,39-40H,7-14H2,1-6H3;3*5-9H,1-4H3;1-6,11H;3*1H,2-4H3;8H,1-2H3;1-4H;;;/q;;;;;;;;;;-1;;;
InChIKeyLXELATSJIMWMFY-UHFFFAOYSA-N
MW2422.92 g/mol
LogP40.96
Rot. Bonds15

About tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol

tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 158069919) has the molecular formula C145H185F3Mo3N5O5- and a molecular weight of 2422.92 g/mol. Its IUPAC name is tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Nametris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID158069919
Molecular FormulaC145H185F3Mo3N5O5-
Molecular Weight2422.92 g/mol
Exact Mass2427.15
IUPAC Nametris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2O)CCCC3)c(C)c1.Oc1cccc2cccnc12.c1cc[n-]c1
InChIInChI=1S/C39H44O.C38H42O2.3C12H17N.C9H7NO.3C5H10.C4H7F3O.C4H4N.3Mo/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;1-21-15-23(3)33(24(4)16-21)31-19-27-11-7-9-13-29(27)35(37(31)39)36-30-14-10-8-12-28(30)20-32(38(36)40)34-25(5)17-22(2)18-26(34)6;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-5(2,3)4;1-3(2,8)4(5,6)7;1-2-4-5-3-1;;;/h16-21,40H,8-15H2,1-7H3;15-20,39-40H,7-14H2,1-6H3;3*5-9H,1-4H3;1-6,11H;3*1H,2-4H3;8H,1-2H3;1-4H;;;/q;;;;;;;;;;-1;;;
InChIKeyLXELATSJIMWMFY-UHFFFAOYSA-N
XLogP40.96
TPSA165.22 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002422.92
LogP ≤ 540.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol with MolForge

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Related Compounds

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5,5'-[[[3,5-Bis(trifluoromethyl)benzyl]imino]bismethylene]bis(quinoline-8-ol)
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5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)vinyl]quinolin-8-ol
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7-[(E)-2-(5-fluoro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
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5,7-Bis(2-(trifluoromethyl)phenyl)quinolin-8-ol
CID 57939304
5,7-Bis(2-fluorophenyl)quinolin-8-ol
CID 57939331
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CID 58542996
7-[2-(6-Methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58543011
5-[[(8-Hydroxy-7-prop-1-enylquinolin-5-yl)methyl-(2,2,2-trifluoro-1-phenylethyl)amino]methyl]-7-prop-1-enylquinolin-8-ol
CID 67443542
3,5-Bis[(4-fluorophenyl)methyl]-7-methylquinolin-8-ol
CID 70875508
7-Butyl-3,5-bis[(4-fluorophenyl)methyl]quinolin-8-ol
CID 71056540

Frequently Asked Questions

What is the IUPAC name of tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol (CID 158069919) is tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2C)CCCC3)c(C)c1.Cc1cc(C)c(-c2cc3c(c(-c4c(O)c(-c5c(C)cc(C)cc5C)cc5c4CCCC5)c2O)CCCC3)c(C)c1.Oc1cccc2cccnc12.c1cc[n-]c1.
What is the InChIKey of tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is LXELATSJIMWMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44O.C38H42O2.3C12H17N.C9H7NO.3C5H10.C4H7F3O.C4H4N.3Mo/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;1-21-15-23(3)33(24(4)16-21)31-19-27-11-7-9-13-29(27)35(37(31)39)36-30-14-10-8-12-28(30)20-32(38(36)40)34-25(5)17-22(2)18-26(34)6;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-5(2,3)4;1-3(2,8)4(5,6)7;1-2-4-5-3-1;;;/h16-21,40H,8-15H2,1-7H3;15-20,39-40H,7-14H2,1-6H3;3*5-9H,1-4H3;1-6,11H;3*1H,2-4H3;8H,1-2H3;1-4H;;;/q;;;;;;;;;;-1;;;.
What are the key properties of tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol?
tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2422.92 g/mol, XLogP of 40.96, 15 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);1-[2-hydroxy-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 158069919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).