4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol

C175H183Br4Cl2F3Mo3N8O4W-4 — CID 158767466

IUPAC4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/C30H19Br3O.C19H14O.C18H13BrO.3C12H17N.3C10H12.C9H9F3O.C6H3Cl2N.3C6H8N.C5H10.C4H4N.3Mo.W/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;1-8(13,9(10,11)12)7-5-3-2-4-6-7;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;1-2-4-5-3-1;;;;/h1-18,34H;1-13,20H;1-12,20H;3*5-9H,1-4H3;3*1,4-8H,2-3H3;2-6,13H,1H3;1-3H;3*3-4H,1-2H3;1H,2-4H3;1-4H;;;;/q;;;;;;;;;;;3*-1;;-1;;;;
InChIKeyJVIIRFNJILXAMN-UHFFFAOYSA-N
MW3381.62 g/mol
LogP51.24
Rot. Bonds24

About 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol

4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol (PubChem CID 158767466) has the molecular formula C175H183Br4Cl2F3Mo3N8O4W-4 and a molecular weight of 3381.62 g/mol. Its IUPAC name is 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol.

Molecular Properties

Compound Name4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol
PubChem CID158767466
Molecular FormulaC175H183Br4Cl2F3Mo3N8O4W-4
Molecular Weight3381.62 g/mol
Exact Mass3380.71
IUPAC Name4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/C30H19Br3O.C19H14O.C18H13BrO.3C12H17N.3C10H12.C9H9F3O.C6H3Cl2N.3C6H8N.C5H10.C4H4N.3Mo.W/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;1-8(13,9(10,11)12)7-5-3-2-4-6-7;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;1-2-4-5-3-1;;;;/h1-18,34H;1-13,20H;1-12,20H;3*5-9H,1-4H3;3*1,4-8H,2-3H3;2-6,13H,1H3;1-3H;3*3-4H,1-2H3;1H,2-4H3;1-4H;;;;/q;;;;;;;;;;;3*-1;;-1;;;;
InChIKeyJVIIRFNJILXAMN-UHFFFAOYSA-N
XLogP51.24
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003381.62
LogP ≤ 551.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol?
The IUPAC name of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol (CID 158767466) is 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol.
What is the SMILES notation for 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol?
The canonical SMILES for 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.OC1(c2ccccc2)c2ccccc2-c2ccccc21.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.
What is the InChIKey of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol?
The InChIKey is JVIIRFNJILXAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br3O.C19H14O.C18H13BrO.3C12H17N.3C10H12.C9H9F3O.C6H3Cl2N.3C6H8N.C5H10.C4H4N.3Mo.W/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-10(2,3)9-7-5-4-6-8-9;1-8(13,9(10,11)12)7-5-3-2-4-6-7;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;1-2-4-5-3-1;;;;/h1-18,34H;1-13,20H;1-12,20H;3*5-9H,1-4H3;3*1,4-8H,2-3H3;2-6,13H,1H3;1-3H;3*3-4H,1-2H3;1H,2-4H3;1-4H;;;;/q;;;;;;;;;;;3*-1;;-1;;;;.
What are the key properties of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol?
4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol has a molecular weight of 3381.62 g/mol, XLogP of 51.24, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);9-phenylfluoren-9-ol;pyrrol-1-ide;1,1,1-trifluoro-2-phenylpropan-2-ol is sourced from PubChem (CID 158767466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).