2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)

C136H140Br2F3Mo2N5O4W-2 — CID 158573418

IUPAC2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)
SMILESCC(C)(C)C=[W]=Nc1ccccc1C(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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(Br)ccc2cccc(-c3ccccc3)c12.Oc1cccc2cccc(-c3ccccc3)c12.Oc1cccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C30H21BrO.C16H11BrO.2C16H12O.2C12H17N.C7H4F3N.2C6H8N.3C5H10.2Mo.W/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;17-14-10-9-12-7-4-8-13(15(12)16(14)18)11-5-2-1-3-6-11;2*17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;8-7(9,10)5-3-1-2-4-6(5)11;2*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h1-20,32H;1-10,18H;2*1-11,17H;2*5-9H,1-4H3;1-4H;2*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;;2*-1;;;;;;
InChIKeyFZRAFBQNUCVYFY-UHFFFAOYSA-N
MW2501.17 g/mol
LogP40.55
Rot. Bonds14

About 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)

2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol) (PubChem CID 158573418) has the molecular formula C136H140Br2F3Mo2N5O4W-2 and a molecular weight of 2501.17 g/mol. Its IUPAC name is 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol).

Molecular Properties

Compound Name2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)
PubChem CID158573418
Molecular FormulaC136H140Br2F3Mo2N5O4W-2
Molecular Weight2501.17 g/mol
Exact Mass2501.69
IUPAC Name2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)
SMILESCC(C)(C)C=[W]=Nc1ccccc1C(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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(Br)ccc2cccc(-c3ccccc3)c12.Oc1cccc2cccc(-c3ccccc3)c12.Oc1cccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C30H21BrO.C16H11BrO.2C16H12O.2C12H17N.C7H4F3N.2C6H8N.3C5H10.2Mo.W/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;17-14-10-9-12-7-4-8-13(15(12)16(14)18)11-5-2-1-3-6-11;2*17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;8-7(9,10)5-3-1-2-4-6(5)11;2*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h1-20,32H;1-10,18H;2*1-11,17H;2*5-9H,1-4H3;1-4H;2*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;;2*-1;;;;;;
InChIKeyFZRAFBQNUCVYFY-UHFFFAOYSA-N
XLogP40.55
TPSA146.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002501.17
LogP ≤ 540.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol) with MolForge

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Related Compounds

3-Bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 138976130
3-Bromo-8-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 166448970
3-Bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide
CID 58460782
3-bromo-1-[(3S)-3-bromo-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 58460802
Bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-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
CID 157257763
Bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane
CID 157282856
3-Bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2,3,5,6-tetraphenylphenol
CID 157341748
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 157409866
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-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide);tetrakis(2,6-diphenylphenol)
CID 157575008
3-Bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tetrakis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-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
CID 157611245
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;4-bromo-2,3,5,6-tetraphenylphenol;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;2,3,5,6-tetraphenylphenol
CID 157737323
1,4-Dimethylcyclopentene;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 157824348

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)?
The IUPAC name of 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol) (CID 158573418) is 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol).
What is the SMILES notation for 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)?
The canonical SMILES for 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol) is CC(C)(C)C=[W]=Nc1ccccc1C(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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(Br)ccc2cccc(-c3ccccc3)c12.Oc1cccc2cccc(-c3ccccc3)c12.Oc1cccc2cccc(-c3ccccc3)c12.
What is the InChIKey of 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)?
The InChIKey is FZRAFBQNUCVYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21BrO.C16H11BrO.2C16H12O.2C12H17N.C7H4F3N.2C6H8N.3C5H10.2Mo.W/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;17-14-10-9-12-7-4-8-13(15(12)16(14)18)11-5-2-1-3-6-11;2*17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;8-7(9,10)5-3-1-2-4-6(5)11;2*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h1-20,32H;1-10,18H;2*1-11,17H;2*5-9H,1-4H3;1-4H;2*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;;2*-1;;;;;;.
What are the key properties of 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol)?
2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol) has a molecular weight of 2501.17 g/mol, XLogP of 40.55, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-phenylnaphthalen-1-ol;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);bis(8-phenylnaphthalen-1-ol) is sourced from PubChem (CID 158573418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).