(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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Related Compounds

(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
CID 59270862
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
CID 58049752
(9-methylcarbazol-2-yl)-triphenylsilane
CID 168811045
(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane
CID 88543365
3-tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]carbazole;3-tert-butyl-9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;[9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-triphenylsilane;9-[3-(3,6-difluorocarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-3,6-difluorocarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[3-(3,5-diphenylphenyl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 159201788
[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490215
[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
CID 162485372
[4-[11-(3,6-ditert-butylcarbazol-9-yl)-14-phenyl-4,18-bis(triphenylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
CID 168783592
triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane
CID 59270867
triphenyl-(3-triphenylsilylcarbazol-9-yl)silane
CID 146048426
[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031725
1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
CID 59221914

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).