CID 177451291

C57H79ClSi2Sn — CID 177451291

IUPAC—
SMILESCC(C)c1cc(C(C)C)c([Si](Cl)[Si](c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/C45H69ClSi2.2C6H5.Sn/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)47(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)48(46)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18;2*1-2-4-6-5-3-1;/h19-33H,1-18H3;2*1-5H;
InChIKeyBVKFNNQCQKOBRU-UHFFFAOYSA-N
MW974.59 g/mol
LogP13.96
Rot. Bonds15

About CID 177451291

CID 177451291 (PubChem CID 177451291) has the molecular formula C57H79ClSi2Sn and a molecular weight of 974.59 g/mol.

Molecular Properties

Compound NameCID 177451291
PubChem CID177451291
Molecular FormulaC57H79ClSi2Sn
Molecular Weight974.59 g/mol
Exact Mass974.44
IUPAC Name—
SMILESCC(C)c1cc(C(C)C)c([Si](Cl)[Si](c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/C45H69ClSi2.2C6H5.Sn/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)47(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)48(46)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18;2*1-2-4-6-5-3-1;/h19-33H,1-18H3;2*1-5H;
InChIKeyBVKFNNQCQKOBRU-UHFFFAOYSA-N
XLogP13.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.59
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 177451291 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 23175245
CID 23175245
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-[4-[4-[bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-[2,4,6-tri(propan-2-yl)phenyl]silyl]phenyl]phenyl]-[2,4,6-tri(propan-2-yl)phenyl]silane
CID 139171251
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325
bis[2,4,6-tri(propan-2-yl)phenyl]germane
CID 71343686
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
cumene
CID 161227923
1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane
CID 24851166

Frequently Asked Questions

What is the IUPAC name of CID 177451291?
The IUPAC name of CID 177451291 (CID 177451291) is not available.
What is the SMILES notation for CID 177451291?
The canonical SMILES for CID 177451291 is CC(C)c1cc(C(C)C)c([Si](Cl)[Si](c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.c1ccc([Sn]c2ccccc2)cc1.
What is the InChIKey of CID 177451291?
The InChIKey is BVKFNNQCQKOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H69ClSi2.2C6H5.Sn/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)47(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)48(46)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18;2*1-2-4-6-5-3-1;/h19-33H,1-18H3;2*1-5H;.
What are the key properties of CID 177451291?
CID 177451291 has a molecular weight of 974.59 g/mol, XLogP of 13.96, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177451291 is sourced from PubChem (CID 177451291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).