(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane

C49H39NSi2 — CID 59270862

IUPAC(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
SMILESCn1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C49H39NSi2/c1-50-48-34-32-44(51(38-20-8-2-9-21-38,39-22-10-3-11-23-39)40-24-12-4-13-25-40)36-46(48)47-37-45(33-35-49(47)50)52(41-26-14-5-15-27-41,42-28-16-6-17-29-42)43-30-18-7-19-31-43/h2-37H,1H3
InChIKeyHQENUOQFMHHWPI-UHFFFAOYSA-N
MW698.03 g/mol
LogP6.09
Rot. Bonds8

About (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane

(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane (PubChem CID 59270862) has the molecular formula C49H39NSi2 and a molecular weight of 698.03 g/mol. Its IUPAC name is (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane.

Molecular Properties

Compound Name(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
PubChem CID59270862
Molecular FormulaC49H39NSi2
Molecular Weight698.03 g/mol
Exact Mass697.26
IUPAC Name(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
SMILESCn1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C49H39NSi2/c1-50-48-34-32-44(51(38-20-8-2-9-21-38,39-22-10-3-11-23-39)40-24-12-4-13-25-40)36-46(48)47-37-45(33-35-49(47)50)52(41-26-14-5-15-27-41,42-28-16-6-17-29-42)43-30-18-7-19-31-43/h2-37H,1H3
InChIKeyHQENUOQFMHHWPI-UHFFFAOYSA-N
XLogP6.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.03
LogP ≤ 56.09
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

(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
CID 174101281
(9-methylcarbazol-2-yl)-triphenylsilane
CID 168811045
(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane
CID 88543365
triphenyl-(3-triphenylsilylcarbazol-9-yl)silane
CID 146048426
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
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
CID 59469948
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
[9-(2-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811116
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
[8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane
CID 58489581

Frequently Asked Questions

What is the IUPAC name of (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane?
The IUPAC name of (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane (CID 59270862) is (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane.
What is the SMILES notation for (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane?
The canonical SMILES for (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane is Cn1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane?
The InChIKey is HQENUOQFMHHWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39NSi2/c1-50-48-34-32-44(51(38-20-8-2-9-21-38,39-22-10-3-11-23-39)40-24-12-4-13-25-40)36-46(48)47-37-45(33-35-49(47)50)52(41-26-14-5-15-27-41,42-28-16-6-17-29-42)43-30-18-7-19-31-43/h2-37H,1H3.
What are the key properties of (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane?
(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane has a molecular weight of 698.03 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane is sourced from PubChem (CID 59270862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).