8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)

C183H173BrF8Mo4N5O7- — CID 159202135

IUPAC8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)
SMILESCC(C)(C)C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1cccc2cccc(-c3ccccc3Br)c12
InChIInChI=1S/6C18H14O.C16H11BrO.C12H17N.C8H9N.C7H4F3N.C6F5N.C6H8N.4C5H10.4Mo/c6*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;17-14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(18)16(11)13;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h6*1-13,19H;1-10,18H;5-9H,1-4H3;3-5H,1-2H3;1-4H;;3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;;;;-1;;;;;;;;
InChIKeyDSBNQMLCGARGJP-UHFFFAOYSA-N
MW3170.07 g/mol
LogP52.90
Rot. Bonds19

About 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)

8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol) (PubChem CID 159202135) has the molecular formula C183H173BrF8Mo4N5O7- and a molecular weight of 3170.07 g/mol. Its IUPAC name is 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol).

Molecular Properties

Compound Name8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)
PubChem CID159202135
Molecular FormulaC183H173BrF8Mo4N5O7-
Molecular Weight3170.07 g/mol
Exact Mass3174.86
IUPAC Name8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)
SMILESCC(C)(C)C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1cccc2cccc(-c3ccccc3Br)c12
InChIInChI=1S/6C18H14O.C16H11BrO.C12H17N.C8H9N.C7H4F3N.C6F5N.C6H8N.4C5H10.4Mo/c6*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;17-14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(18)16(11)13;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h6*1-13,19H;1-10,18H;5-9H,1-4H3;3-5H,1-2H3;1-4H;;3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;;;;-1;;;;;;;;
InChIKeyDSBNQMLCGARGJP-UHFFFAOYSA-N
XLogP52.90
TPSA205.15 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003170.07
LogP ≤ 552.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol) with MolForge

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Related Compounds

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158642618
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol
CID 157458416
bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide)
CID 161211592
2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol
CID 159861385
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 160723269
4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol
CID 157128021
[2-chloro-6-(trifluoromethyl)phenyl]imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 158251001
bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158750489
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 163837306
(2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 158996686
2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
CID 161075571
carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)
CID 159541361

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)?
The IUPAC name of 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol) (CID 159202135) is 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol).
What is the SMILES notation for 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)?
The canonical SMILES for 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol) is CC(C)(C)C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1cccc2cccc(-c3ccccc3Br)c12.
What is the InChIKey of 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)?
The InChIKey is DSBNQMLCGARGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H14O.C16H11BrO.C12H17N.C8H9N.C7H4F3N.C6F5N.C6H8N.4C5H10.4Mo/c6*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;17-14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(18)16(11)13;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h6*1-13,19H;1-10,18H;5-9H,1-4H3;3-5H,1-2H3;1-4H;;3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;;;;-1;;;;;;;;.
What are the key properties of 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol)?
8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol) has a molecular weight of 3170.07 g/mol, XLogP of 52.90, 19 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromophenyl)naphthalen-1-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;hexakis(2,6-diphenylphenol) is sourced from PubChem (CID 159202135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).