3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol

C269H313Br2Cl6Mo3N14O7Si5W4-7 — CID 158079685

IUPAC3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C21H22Br2O.C19H16O.5C18H16OSi.4C12H17N.3C6H3Cl2N.5C6H8N.7C5H10.2C4H4N.3Mo.4W/c1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*7-4-2-1-3-5(8)6(4)9;5*1-5-3-4-6(2)7-5;7*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;/h10-11,24H,2-9H2,1H3;1-15,20H;5*1-15,19H;4*5-9H,1-4H3;3*1-3H;5*3-4H,1-2H3;7*1H,2-4H3;2*1-4H;;;;;;;/q;;;;;;;;;;;;;;5*-1;;;;;;;;2*-1;;;;;;;
InChIKeyNOQJQYRRGSCMIO-UHFFFAOYSA-N
MW5390.69 g/mol
LogP63.38
Rot. Bonds34

About 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol (PubChem CID 158079685) has the molecular formula C269H313Br2Cl6Mo3N14O7Si5W4-7 and a molecular weight of 5390.69 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol.

Molecular Properties

Compound Name3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol
PubChem CID158079685
Molecular FormulaC269H313Br2Cl6Mo3N14O7Si5W4-7
Molecular Weight5390.69 g/mol
Exact Mass5388.51
IUPAC Name3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C21H22Br2O.C19H16O.5C18H16OSi.4C12H17N.3C6H3Cl2N.5C6H8N.7C5H10.2C4H4N.3Mo.4W/c1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*7-4-2-1-3-5(8)6(4)9;5*1-5-3-4-6(2)7-5;7*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;/h10-11,24H,2-9H2,1H3;1-15,20H;5*1-15,19H;4*5-9H,1-4H3;3*1-3H;5*3-4H,1-2H3;7*1H,2-4H3;2*1-4H;;;;;;;/q;;;;;;;;;;;;;;5*-1;;;;;;;;2*-1;;;;;;;
InChIKeyNOQJQYRRGSCMIO-UHFFFAOYSA-N
XLogP63.38
TPSA326.83 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms310
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005390.69
LogP ≤ 563.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol?
The IUPAC name of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol (CID 158079685) is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol.
What is the SMILES notation for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol?
The canonical SMILES for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol?
The InChIKey is NOQJQYRRGSCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Br2O.C19H16O.5C18H16OSi.4C12H17N.3C6H3Cl2N.5C6H8N.7C5H10.2C4H4N.3Mo.4W/c1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*7-4-2-1-3-5(8)6(4)9;5*1-5-3-4-6(2)7-5;7*1-5(2,3)4;2*1-2-4-5-3-1;;;;;;;/h10-11,24H,2-9H2,1H3;1-15,20H;5*1-15,19H;4*5-9H,1-4H3;3*1-3H;5*3-4H,1-2H3;7*1H,2-4H3;2*1-4H;;;;;;;/q;;;;;;;;;;;;;;5*-1;;;;;;;;2*-1;;;;;;;.
What are the key properties of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol?
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol has a molecular weight of 5390.69 g/mol, XLogP of 63.38, 34 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol is sourced from PubChem (CID 158079685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).