(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane

C48H38N2Si2 — CID 88543365

IUPAC(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane
SMILESCn1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2nc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C48H38N2Si2/c1-50-45-33-32-43(51(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39)36-44(45)48-46(50)34-35-47(49-48)52(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42/h2-36H,1H3
InChIKeySPOXPNRAQQBHCO-UHFFFAOYSA-N
MW699.02 g/mol
LogP5.48
Rot. Bonds8

About (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane

(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane (PubChem CID 88543365) has the molecular formula C48H38N2Si2 and a molecular weight of 699.02 g/mol. Its IUPAC name is (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane.

Molecular Properties

Compound Name(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane
PubChem CID88543365
Molecular FormulaC48H38N2Si2
Molecular Weight699.02 g/mol
Exact Mass698.26
IUPAC Name(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane
SMILESCn1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2nc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C48H38N2Si2/c1-50-45-33-32-43(51(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39)36-44(45)48-46(50)34-35-47(49-48)52(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42/h2-36H,1H3
InChIKeySPOXPNRAQQBHCO-UHFFFAOYSA-N
XLogP5.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.02
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
CID 174101281
(9-methylcarbazol-2-yl)-triphenylsilane
CID 168811045
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
triphenyl-(3-triphenylsilylcarbazol-9-yl)silane
CID 146048426
(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
CID 59469948
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane
CID 90193795
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
CID 58556489
[9-(2-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811116
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane?
The IUPAC name of (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane (CID 88543365) is (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane.
What is the SMILES notation for (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane?
The canonical SMILES for (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane is Cn1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2nc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane?
The InChIKey is SPOXPNRAQQBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2Si2/c1-50-45-33-32-43(51(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39)36-44(45)48-46(50)34-35-47(49-48)52(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42/h2-36H,1H3.
What are the key properties of (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane?
(5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane has a molecular weight of 699.02 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-triphenylsilylpyrido[3,2-b]indol-8-yl)-triphenylsilane is sourced from PubChem (CID 88543365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).