4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene

C55H46Br4O2Si — CID 158668805

IUPAC4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene
SMILESBrc1cccc(Br)c1.CC1(C)c2ccccc2Oc2c(Br)cccc21.CC1(C)c2ccccc2Oc2c(C[Si](c3ccccc3)(c3ccccc3)c3cccc(Br)c3)cccc21
InChIInChI=1S/C34H29BrOSi.C15H13BrO.C6H4Br2/c1-34(2)30-20-9-10-22-32(30)36-33-25(13-11-21-31(33)34)24-37(27-15-5-3-6-16-27,28-17-7-4-8-18-28)29-19-12-14-26(35)23-29;1-15(2)10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16;7-5-2-1-3-6(8)4-5/h3-23H,24H2,1-2H3;3-9H,1-2H3;1-4H
InChIKeyIDRSCMMRLPCSLX-UHFFFAOYSA-N
MW1086.67 g/mol
LogP15.23
Rot. Bonds5

About 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene

4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene (PubChem CID 158668805) has the molecular formula C55H46Br4O2Si and a molecular weight of 1086.67 g/mol. Its IUPAC name is 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene.

Molecular Properties

Compound Name4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene
PubChem CID158668805
Molecular FormulaC55H46Br4O2Si
Molecular Weight1086.67 g/mol
Exact Mass1082.00
IUPAC Name4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene
SMILESBrc1cccc(Br)c1.CC1(C)c2ccccc2Oc2c(Br)cccc21.CC1(C)c2ccccc2Oc2c(C[Si](c3ccccc3)(c3ccccc3)c3cccc(Br)c3)cccc21
InChIInChI=1S/C34H29BrOSi.C15H13BrO.C6H4Br2/c1-34(2)30-20-9-10-22-32(30)36-33-25(13-11-21-31(33)34)24-37(27-15-5-3-6-16-27,28-17-7-4-8-18-28)29-19-12-14-26(35)23-29;1-15(2)10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16;7-5-2-1-3-6(8)4-5/h3-23H,24H2,1-2H3;3-9H,1-2H3;1-4H
InChIKeyIDRSCMMRLPCSLX-UHFFFAOYSA-N
XLogP15.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.67
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene?
The IUPAC name of 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene (CID 158668805) is 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene.
What is the SMILES notation for 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene?
The canonical SMILES for 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene is Brc1cccc(Br)c1.CC1(C)c2ccccc2Oc2c(Br)cccc21.CC1(C)c2ccccc2Oc2c(C[Si](c3ccccc3)(c3ccccc3)c3cccc(Br)c3)cccc21.
What is the InChIKey of 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene?
The InChIKey is IDRSCMMRLPCSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29BrOSi.C15H13BrO.C6H4Br2/c1-34(2)30-20-9-10-22-32(30)36-33-25(13-11-21-31(33)34)24-37(27-15-5-3-6-16-27,28-17-7-4-8-18-28)29-19-12-14-26(35)23-29;1-15(2)10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16;7-5-2-1-3-6(8)4-5/h3-23H,24H2,1-2H3;3-9H,1-2H3;1-4H.
What are the key properties of 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene?
4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene has a molecular weight of 1086.67 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene is sourced from PubChem (CID 158668805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).