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

C183H196Br4F4Mo4N8O4-4 — CID 159005557

IUPAC4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESCC(C)(C=[Mo])c1ccccc1.CC(C)c1cccc(C(C)C)c1N.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.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C30H19Br3O.C18H13BrO.C18H13FO.C12H19N.3C12H17N.4C10H12.C9H9F3O.2C6H8N.2C4H4N.4Mo/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;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*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;2*1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;;/h1-18,34H;2*1-12,20H;5-9H,13H2,1-4H3;3*5-9H,1-4H3;4*1,4-8H,2-3H3;2-6,13H,1H3;2*3-4H,1-2H3;2*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyZSNPDIWAZNQRBT-UHFFFAOYSA-N
MW3351.00 g/mol
LogP52.63
Rot. Bonds28

About 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol (PubChem CID 159005557) has the molecular formula C183H196Br4F4Mo4N8O4-4 and a molecular weight of 3351.00 g/mol. Its IUPAC name is 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol
PubChem CID159005557
Molecular FormulaC183H196Br4F4Mo4N8O4-4
Molecular Weight3351.00 g/mol
Exact Mass3352.83
IUPAC Name4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESCC(C)(C=[Mo])c1ccccc1.CC(C)c1cccc(C(C)C)c1N.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.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C30H19Br3O.C18H13BrO.C18H13FO.C12H19N.3C12H17N.4C10H12.C9H9F3O.2C6H8N.2C4H4N.4Mo/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;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*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;2*1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;;/h1-18,34H;2*1-12,20H;5-9H,13H2,1-4H3;3*5-9H,1-4H3;4*1,4-8H,2-3H3;2-6,13H,1H3;2*3-4H,1-2H3;2*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyZSNPDIWAZNQRBT-UHFFFAOYSA-N
XLogP52.63
TPSA200.42 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003351.00
LogP ≤ 552.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol (CID 159005557) is 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol is CC(C)(C=[Mo])c1ccccc1.CC(C)c1cccc(C(C)C)c1N.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.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol?
The InChIKey is ZSNPDIWAZNQRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br3O.C18H13BrO.C18H13FO.C12H19N.3C12H17N.4C10H12.C9H9F3O.2C6H8N.2C4H4N.4Mo/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;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;4*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;2*1-5-3-4-6(2)7-5;2*1-2-4-5-3-1;;;;/h1-18,34H;2*1-12,20H;5-9H,13H2,1-4H3;3*5-9H,1-4H3;4*1,4-8H,2-3H3;2-6,13H,1H3;2*3-4H,1-2H3;2*1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;.
What are the key properties of 4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;4-bromo-2,6-diphenylphenol;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol has a molecular weight of 3351.00 g/mol, XLogP of 52.63, 28 rotatable bonds, 5 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;bis(2,5-dimethylpyrrol-1-ide);2,6-di(propan-2-yl)aniline;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)molybdenum;bis(pyrrol-1-ide);1,1,1-trifluoro-2-phenylpropan-2-ol is sourced from PubChem (CID 159005557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).