CID 119078214

C30H31BSi — CID 119078214

IUPAC—
SMILESCc1cc(C)c(B(c2ccccc2[Si]c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C30H31BSi/c1-20-16-22(3)29(23(4)17-20)31(30-24(5)18-21(2)19-25(30)6)27-14-10-11-15-28(27)32-26-12-8-7-9-13-26/h7-19H,1-6H3
InChIKeyXCHVSTBRKKMULD-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.71
Rot. Bonds5

About CID 119078214

CID 119078214 (PubChem CID 119078214) has the molecular formula C30H31BSi and a molecular weight of 430.48 g/mol.

Molecular Properties

Compound NameCID 119078214
PubChem CID119078214
Molecular FormulaC30H31BSi
Molecular Weight430.48 g/mol
Exact Mass430.23
IUPAC Name—
SMILESCc1cc(C)c(B(c2ccccc2[Si]c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C30H31BSi/c1-20-16-22(3)29(23(4)17-20)31(30-24(5)18-21(2)19-25(30)6)27-14-10-11-15-28(27)32-26-12-8-7-9-13-26/h7-19H,1-6H3
InChIKeyXCHVSTBRKKMULD-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.71
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

[6-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-4-yl]-bis(2,4,6-trimethylphenyl)borane;toluene
CID 139105726
[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
CID 102241957
[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-bis(2,4,6-trimethylphenyl)borane
CID 23115800
[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 177242756
[2-[2-bis(2,4,6-trimethylphenyl)boranylphenoxy]phenyl]-diphenylphosphane
CID 23643524
[3-[3-bis[2,6-dimethyl-4-(4-phenylphenyl)phenyl]boranyl-2,4-dimethylphenyl]-2,6-dimethylphenyl]-bis[2,6-dimethyl-4-(4-phenylphenyl)phenyl]borane
CID 59622751
[8-bis(2,4,6-trimethylphenyl)boranylnaphthalen-1-yl]-methyl-phenyltellanium;trifluoromethanesulfonate
CID 46864184
5-bis(2,4,6-trimethylphenyl)boranyl-4,6-dimethylbenzene-1,3-dicarboxylic acid
CID 123891293
4-[4-bis(2,4,6-trimethylphenyl)boranyl-3,5-dimethylphenyl]-N,N-diphenylaniline
CID 102186845
CID 139244826
CID 139244826
Diphenylsilicon
CID 6327659
methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
CID 20689823

Frequently Asked Questions

What is the IUPAC name of CID 119078214?
The IUPAC name of CID 119078214 (CID 119078214) is not available.
What is the SMILES notation for CID 119078214?
The canonical SMILES for CID 119078214 is Cc1cc(C)c(B(c2ccccc2[Si]c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of CID 119078214?
The InChIKey is XCHVSTBRKKMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31BSi/c1-20-16-22(3)29(23(4)17-20)31(30-24(5)18-21(2)19-25(30)6)27-14-10-11-15-28(27)32-26-12-8-7-9-13-26/h7-19H,1-6H3.
What are the key properties of CID 119078214?
CID 119078214 has a molecular weight of 430.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119078214 is sourced from PubChem (CID 119078214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).