1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole

C48H42Si — CID 18792374

IUPAC1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole
SMILESCc1ccc2ccccc2c1C1=C(c2ccccc2)C(c2ccccc2)=C(c2c(C)ccc3ccccc23)[Si]1(c1ccccc1)C(C)(C)C
InChIInChI=1S/C48H42Si/c1-33-29-31-35-19-15-17-27-40(35)42(33)46-44(37-21-9-6-10-22-37)45(38-23-11-7-12-24-38)47(43-34(2)30-32-36-20-16-18-28-41(36)43)49(46,48(3,4)5)39-25-13-8-14-26-39/h6-32H,1-5H3
InChIKeyKHTNBJHLVKXRBM-UHFFFAOYSA-N
MW646.95 g/mol
LogP12.38
Rot. Bonds5

About 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole

1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole (PubChem CID 18792374) has the molecular formula C48H42Si and a molecular weight of 646.95 g/mol. Its IUPAC name is 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole.

Molecular Properties

Compound Name1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole
PubChem CID18792374
Molecular FormulaC48H42Si
Molecular Weight646.95 g/mol
Exact Mass646.31
IUPAC Name1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole
SMILESCc1ccc2ccccc2c1C1=C(c2ccccc2)C(c2ccccc2)=C(c2c(C)ccc3ccccc23)[Si]1(c1ccccc1)C(C)(C)C
InChIInChI=1S/C48H42Si/c1-33-29-31-35-19-15-17-27-40(35)42(33)46-44(37-21-9-6-10-22-37)45(38-23-11-7-12-24-38)47(43-34(2)30-32-36-20-16-18-28-41(36)43)49(46,48(3,4)5)39-25-13-8-14-26-39/h6-32H,1-5H3
InChIKeyKHTNBJHLVKXRBM-UHFFFAOYSA-N
XLogP12.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.95
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
2-(2-methylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166656403
[6-[1-tert-butyl-1,3,4-triphenyl-5-(6-trimethylsilyl-2-pyridinyl)silol-2-yl]-2-pyridinyl]-trimethylsilane
CID 18792371
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
CID 172528370
(1-phenylnaphthalen-2-yl)phosphane;hydrochloride
CID 175012794
1-tert-butyl-2-methylnaphthalene
CID 3019593

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole?
The IUPAC name of 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole (CID 18792374) is 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole.
What is the SMILES notation for 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole?
The canonical SMILES for 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole is Cc1ccc2ccccc2c1C1=C(c2ccccc2)C(c2ccccc2)=C(c2c(C)ccc3ccccc23)[Si]1(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole?
The InChIKey is KHTNBJHLVKXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42Si/c1-33-29-31-35-19-15-17-27-40(35)42(33)46-44(37-21-9-6-10-22-37)45(38-23-11-7-12-24-38)47(43-34(2)30-32-36-20-16-18-28-41(36)43)49(46,48(3,4)5)39-25-13-8-14-26-39/h6-32H,1-5H3.
What are the key properties of 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole?
1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole has a molecular weight of 646.95 g/mol, XLogP of 12.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole is sourced from PubChem (CID 18792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).