1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine

C34H39NSeSi — CID 176802724

IUPAC1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine
SMILESCc1c(CC2CC[Si](C)(C)CC2)ccc2c1[se]c1c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C34H39NSeSi/c1-22-24(19-23-14-17-37(5,6)18-15-23)11-12-28-29-13-16-35-31(33(29)36-32(22)28)26-20-25-9-7-8-10-27(25)30(21-26)34(2,3)4/h7-13,16,20-21,23H,14-15,17-19H2,1-6H3
InChIKeyRNGZADODUSPRFH-UHFFFAOYSA-N
MW568.74 g/mol
LogP9.53
Rot. Bonds3

About 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine

1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine (PubChem CID 176802724) has the molecular formula C34H39NSeSi and a molecular weight of 568.74 g/mol. Its IUPAC name is 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine
PubChem CID176802724
Molecular FormulaC34H39NSeSi
Molecular Weight568.74 g/mol
Exact Mass569.20
IUPAC Name1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine
SMILESCc1c(CC2CC[Si](C)(C)CC2)ccc2c1[se]c1c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C34H39NSeSi/c1-22-24(19-23-14-17-37(5,6)18-15-23)11-12-28-29-13-16-35-31(33(29)36-32(22)28)26-20-25-9-7-8-10-27(25)30(21-26)34(2,3)4/h7-13,16,20-21,23H,14-15,17-19H2,1-6H3
InChIKeyRNGZADODUSPRFH-UHFFFAOYSA-N
XLogP9.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.74
LogP ≤ 59.53
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

1-(4-tert-butylnaphthalen-2-yl)-7-[4-(2,2-dimethylpropyl)-2-methylphenyl]-8-fluoro-[1]benzoselenolo[2,3-c]pyridine
CID 168736821
9-(4-tert-butylnaphthalen-2-yl)-4-(2,2-dimethylpropyl)-5,7-diselena-3,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 167427597
15-(4-tert-butylnaphthalen-2-yl)-3,3,6,6,9-pentamethyl-17-selena-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,11(16),12,14-hexaene
CID 176779844
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902
7-(4-tert-butylnaphthalen-2-yl)-4-(2,2-dimethylpropyl)-1,8-phenanthroline
CID 156667246
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane
CID 170660437
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
1-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-2,8-phenanthroline
CID 156667178
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[3,2-c]pyridine
CID 171764358
7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
CID 172542957

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine?
The IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine (CID 176802724) is 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine is Cc1c(CC2CC[Si](C)(C)CC2)ccc2c1[se]c1c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine?
The InChIKey is RNGZADODUSPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NSeSi/c1-22-24(19-23-14-17-37(5,6)18-15-23)11-12-28-29-13-16-35-31(33(29)36-32(22)28)26-20-25-9-7-8-10-27(25)30(21-26)34(2,3)4/h7-13,16,20-21,23H,14-15,17-19H2,1-6H3.
What are the key properties of 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine?
1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine has a molecular weight of 568.74 g/mol, XLogP of 9.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylnaphthalen-2-yl)-7-[(1,1-dimethylsilinan-4-yl)methyl]-8-methyl-[1]benzoselenolo[2,3-c]pyridine is sourced from PubChem (CID 176802724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).