CID 69230405

C39H37OSi — CID 69230405

IUPAC—
SMILESC=CCOc1c(C)cccc1-c1c(-c2ccccc2)ccc2c1C([Si](CC)CC)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C39H37OSi/c1-5-25-40-38-27(4)15-14-20-34(38)36-31(29-18-12-9-13-19-29)23-24-33-32-22-21-30(28-16-10-8-11-17-28)26-35(32)39(37(33)36)41(6-2)7-3/h5,8-24,26,39H,1,6-7,25H2,2-4H3
InChIKeyINEJJUBZJGIMIV-UHFFFAOYSA-N
MW549.81 g/mol
LogP10.75
Rot. Bonds9

About CID 69230405

CID 69230405 (PubChem CID 69230405) has the molecular formula C39H37OSi and a molecular weight of 549.81 g/mol.

Molecular Properties

Compound NameCID 69230405
PubChem CID69230405
Molecular FormulaC39H37OSi
Molecular Weight549.81 g/mol
Exact Mass549.26
IUPAC Name—
SMILESC=CCOc1c(C)cccc1-c1c(-c2ccccc2)ccc2c1C([Si](CC)CC)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C39H37OSi/c1-5-25-40-38-27(4)15-14-20-34(38)36-31(29-18-12-9-13-19-29)23-24-33-32-22-21-30(28-16-10-8-11-17-28)26-35(32)39(37(33)36)41(6-2)7-3/h5,8-24,26,39H,1,6-7,25H2,2-4H3
InChIKeyINEJJUBZJGIMIV-UHFFFAOYSA-N
XLogP10.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.81
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 69233635
CID 69233635
[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
CID 67207908
[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
CID 67207793
(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
CID 69233636
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
1-bromo-3-phenyl-2-prop-2-enoxybenzene
CID 18347636
N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
CID 145354759
ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
CID 145354758
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
2-(2-bromoethoxy)-1-methyl-3-phenylbenzene
CID 171037127

Frequently Asked Questions

What is the IUPAC name of CID 69230405?
The IUPAC name of CID 69230405 (CID 69230405) is not available.
What is the SMILES notation for CID 69230405?
The canonical SMILES for CID 69230405 is C=CCOc1c(C)cccc1-c1c(-c2ccccc2)ccc2c1C([Si](CC)CC)c1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of CID 69230405?
The InChIKey is INEJJUBZJGIMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37OSi/c1-5-25-40-38-27(4)15-14-20-34(38)36-31(29-18-12-9-13-19-29)23-24-33-32-22-21-30(28-16-10-8-11-17-28)26-35(32)39(37(33)36)41(6-2)7-3/h5,8-24,26,39H,1,6-7,25H2,2-4H3.
What are the key properties of CID 69230405?
CID 69230405 has a molecular weight of 549.81 g/mol, XLogP of 10.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69230405 is sourced from PubChem (CID 69230405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).