(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane

C35H33NSi — CID 174101281

IUPAC(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
SMILESCn1c2ccc(C(C)(C)C)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C35H33NSi/c1-35(2,3)26-20-22-33-31(24-26)32-25-30(21-23-34(32)36(33)4)37(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-25H,1-4H3
InChIKeyZQIJZYIFINENIK-UHFFFAOYSA-N
MW495.74 g/mol
LogP6.01
Rot. Bonds4

About (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane

(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane (PubChem CID 174101281) has the molecular formula C35H33NSi and a molecular weight of 495.74 g/mol. Its IUPAC name is (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane.

Molecular Properties

Compound Name(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
PubChem CID174101281
Molecular FormulaC35H33NSi
Molecular Weight495.74 g/mol
Exact Mass495.24
IUPAC Name(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
SMILESCn1c2ccc(C(C)(C)C)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C35H33NSi/c1-35(2,3)26-20-22-33-31(24-26)32-25-30(21-23-34(32)36(33)4)37(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-25H,1-4H3
InChIKeyZQIJZYIFINENIK-UHFFFAOYSA-N
XLogP6.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane?
The IUPAC name of (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane (CID 174101281) is (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane.
What is the SMILES notation for (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane?
The canonical SMILES for (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane is Cn1c2ccc(C(C)(C)C)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane?
The InChIKey is ZQIJZYIFINENIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NSi/c1-35(2,3)26-20-22-33-31(24-26)32-25-30(21-23-34(32)36(33)4)37(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-25H,1-4H3.
What are the key properties of (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane?
(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane has a molecular weight of 495.74 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane is sourced from PubChem (CID 174101281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).