CID 140631740

C35H47Si3 — CID 140631740

IUPAC—
SMILESCC1=C(C)C(C)([Si](c2cccc([Si](C)(C)C)c2)c2cccc([Si](C)(C)C)c2)C(c2cc(C)cc(C)c2)=C1C
InChIInChI=1S/C35H47Si3/c1-24-19-25(2)21-29(20-24)34-27(4)26(3)28(5)35(34,6)36(30-15-13-17-32(22-30)37(7,8)9)31-16-14-18-33(23-31)38(10,11)12/h13-23H,1-12H3
InChIKeyHWTMDCAAYAXYNP-UHFFFAOYSA-N
MW552.02 g/mol
LogP7.59
Rot. Bonds6

About CID 140631740

CID 140631740 (PubChem CID 140631740) has the molecular formula C35H47Si3 and a molecular weight of 552.02 g/mol.

Molecular Properties

Compound NameCID 140631740
PubChem CID140631740
Molecular FormulaC35H47Si3
Molecular Weight552.02 g/mol
Exact Mass551.30
IUPAC Name—
SMILESCC1=C(C)C(C)([Si](c2cccc([Si](C)(C)C)c2)c2cccc([Si](C)(C)C)c2)C(c2cc(C)cc(C)c2)=C1C
InChIInChI=1S/C35H47Si3/c1-24-19-25(2)21-29(20-24)34-27(4)26(3)28(5)35(34,6)36(30-15-13-17-32(22-30)37(7,8)9)31-16-14-18-33(23-31)38(10,11)12/h13-23H,1-12H3
InChIKeyHWTMDCAAYAXYNP-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.02
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 140631832
CID 140631832
chloro-(3,5-dimethylphenyl)-bis(3-trimethylsilylphenyl)silane
CID 88962825
chloro-bis(3,5-dimethylphenyl)-(3-trimethylsilylphenyl)silane
CID 88962861
CID 173474670
CID 173474670
CID 88962406
CID 88962406
(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
CID 173474312
trimethyl-[3-[4-[3-[4-(3-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]silane
CID 101404035
titanium;trimethyl-[3-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(3-trimethylsilylphenyl)silyl]phenyl]silane;trihydrochloride
CID 173475002
(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium
CID 173474242
bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
CID 173474984
CID 173474984
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473

Frequently Asked Questions

What is the IUPAC name of CID 140631740?
The IUPAC name of CID 140631740 (CID 140631740) is not available.
What is the SMILES notation for CID 140631740?
The canonical SMILES for CID 140631740 is CC1=C(C)C(C)([Si](c2cccc([Si](C)(C)C)c2)c2cccc([Si](C)(C)C)c2)C(c2cc(C)cc(C)c2)=C1C.
What is the InChIKey of CID 140631740?
The InChIKey is HWTMDCAAYAXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47Si3/c1-24-19-25(2)21-29(20-24)34-27(4)26(3)28(5)35(34,6)36(30-15-13-17-32(22-30)37(7,8)9)31-16-14-18-33(23-31)38(10,11)12/h13-23H,1-12H3.
What are the key properties of CID 140631740?
CID 140631740 has a molecular weight of 552.02 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140631740 is sourced from PubChem (CID 140631740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).