dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane

C33H31NSeSi — CID 170932157

IUPACdimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane
SMILESCC(C)Cc1cccc2c1[se]c1c(-c3cc([Si](C)(C)c4ccccc4)c4ccccc4c3)nccc12
InChIInChI=1S/C33H31NSeSi/c1-22(2)19-24-12-10-16-28-29-17-18-34-31(33(29)35-32(24)28)25-20-23-11-8-9-15-27(23)30(21-25)36(3,4)26-13-6-5-7-14-26/h5-18,20-22H,19H2,1-4H3
InChIKeyKOZMWIAEHUMVAR-UHFFFAOYSA-N
MW548.66 g/mol
LogP7.29
Rot. Bonds5

About dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane

dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane (PubChem CID 170932157) has the molecular formula C33H31NSeSi and a molecular weight of 548.66 g/mol. Its IUPAC name is dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane
PubChem CID170932157
Molecular FormulaC33H31NSeSi
Molecular Weight548.66 g/mol
Exact Mass549.14
IUPAC Namedimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane
SMILESCC(C)Cc1cccc2c1[se]c1c(-c3cc([Si](C)(C)c4ccccc4)c4ccccc4c3)nccc12
InChIInChI=1S/C33H31NSeSi/c1-22(2)19-24-12-10-16-28-29-17-18-34-31(33(29)35-32(24)28)25-20-23-11-8-9-15-27(23)30(21-25)36(3,4)26-13-6-5-7-14-26/h5-18,20-22H,19H2,1-4H3
InChIKeyKOZMWIAEHUMVAR-UHFFFAOYSA-N
XLogP7.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.66
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane
CID 170932025
diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane
CID 169052707
trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane
CID 170932085
6-(4-tert-butylnaphthalen-2-yl)-14-(2-methylpropyl)-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545618
dimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-phenylsilane
CID 140720405
1-(3,5-dimethylphenyl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 166519219
trimethyl-[1-[4-(2-methylpropyl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridin-6-yl]germane
CID 166018585
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;dimethyl-[3-[8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-1-yl]-4H-naphthalen-4-id-1-yl]-phenylsilane;iridium
CID 170932116
1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine
CID 176802724
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-propan-2-yliminonon-4-en-4-ol;iridium
CID 167427606
6-(4-tert-butylnaphthalen-2-yl)-16,16-dimethyl-14-(2-methylpropyl)-8-thia-5-aza-16-silatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545638
3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 163458233

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane?
The IUPAC name of dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane (CID 170932157) is dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane?
The canonical SMILES for dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane is CC(C)Cc1cccc2c1[se]c1c(-c3cc([Si](C)(C)c4ccccc4)c4ccccc4c3)nccc12.
What is the InChIKey of dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane?
The InChIKey is KOZMWIAEHUMVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NSeSi/c1-22(2)19-24-12-10-16-28-29-17-18-34-31(33(29)35-32(24)28)25-20-23-11-8-9-15-27(23)30(21-25)36(3,4)26-13-6-5-7-14-26/h5-18,20-22H,19H2,1-4H3.
What are the key properties of dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane?
dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane has a molecular weight of 548.66 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane is sourced from PubChem (CID 170932157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).