(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane

C33H27BrOSi — CID 140920039

IUPAC(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane
SMILESCC1(C)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C33H27BrOSi/c1-33(2)28-19-9-10-21-30(28)35-32-29(33)20-12-22-31(32)36(25-14-5-3-6-15-25,26-16-7-4-8-17-26)27-18-11-13-24(34)23-27/h3-23H,1-2H3
InChIKeyHCKCAGWNIXNJIR-UHFFFAOYSA-N
MW547.57 g/mol
LogP6.26
Rot. Bonds4

About (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane

(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane (PubChem CID 140920039) has the molecular formula C33H27BrOSi and a molecular weight of 547.57 g/mol. Its IUPAC name is (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane.

Molecular Properties

Compound Name(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane
PubChem CID140920039
Molecular FormulaC33H27BrOSi
Molecular Weight547.57 g/mol
Exact Mass546.10
IUPAC Name(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane
SMILESCC1(C)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C33H27BrOSi/c1-33(2)28-19-9-10-21-30(28)35-32-29(33)20-12-22-31(32)36(25-14-5-3-6-15-25,26-16-7-4-8-17-26)27-18-11-13-24(34)23-27/h3-23H,1-2H3
InChIKeyHCKCAGWNIXNJIR-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.57
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromophenyl)-(5,6-dihydrobenzo[b][1]benzoxepin-1-yl)-diphenylsilane
CID 140937556
4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene
CID 158668805
(3-bromophenyl)-triphenylsilane
CID 158328099
[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-pyridinyl]-[9,9-bis(trideuteriomethyl)xanthen-4-yl]-diphenylsilane
CID 168793112
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane
CID 161279212
[9-[6-(9,9-dimethylxanthen-4-yl)dibenzofuran-2-yl]carbazol-3-yl]-triphenylsilane
CID 140937123
bis[3-(9,9-dimethylxanthen-4-yl)-4-(trideuteriomethyl)phenyl]-methyl-phenylsilane
CID 140831756
[9,9-bis(trideuteriomethyl)xanthen-4-yl]-diphenyl-[4-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane
CID 168793001
bis(3-bromophenyl)-dimethylsilane
CID 86171325
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
CID 174068644
CID 174068644
(3-bromophenyl)-[3-bromo-4-[[4,5,5-trimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-4-yl]methyl]phenyl]-diphenylsilane
CID 174100526

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane?
The IUPAC name of (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane (CID 140920039) is (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane.
What is the SMILES notation for (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane?
The canonical SMILES for (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane is CC1(C)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane?
The InChIKey is HCKCAGWNIXNJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BrOSi/c1-33(2)28-19-9-10-21-30(28)35-32-29(33)20-12-22-31(32)36(25-14-5-3-6-15-25,26-16-7-4-8-17-26)27-18-11-13-24(34)23-27/h3-23H,1-2H3.
What are the key properties of (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane?
(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane has a molecular weight of 547.57 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane is sourced from PubChem (CID 140920039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).