[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane

C48H46N2Si — CID 59236792

IUPAC[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane
SMILESCC(C)(C)c1cc2ccccc2n1-c1cc(-n2c(C(C)(C)C)cc3ccccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H46N2Si/c1-47(2,3)45-30-35-20-16-18-28-43(35)49(45)37-32-38(50-44-29-19-17-21-36(44)31-46(50)48(4,5)6)34-42(33-37)51(39-22-10-7-11-23-39,40-24-12-8-13-25-40)41-26-14-9-15-27-41/h7-34H,1-6H3
InChIKeyHJYFOGRKWRIDSN-UHFFFAOYSA-N
MW679.00 g/mol
LogP9.55
Rot. Bonds6

About [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane

[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane (PubChem CID 59236792) has the molecular formula C48H46N2Si and a molecular weight of 679.00 g/mol. Its IUPAC name is [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane
PubChem CID59236792
Molecular FormulaC48H46N2Si
Molecular Weight679.00 g/mol
Exact Mass678.34
IUPAC Name[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane
SMILESCC(C)(C)c1cc2ccccc2n1-c1cc(-n2c(C(C)(C)C)cc3ccccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H46N2Si/c1-47(2,3)45-30-35-20-16-18-28-43(35)49(45)37-32-38(50-44-29-19-17-21-36(44)31-46(50)48(4,5)6)34-42(33-37)51(39-22-10-7-11-23-39,40-24-12-8-13-25-40)41-26-14-9-15-27-41/h7-34H,1-6H3
InChIKeyHJYFOGRKWRIDSN-UHFFFAOYSA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.00
LogP ≤ 59.55
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

[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole
CID 59171906
CID 88965064
CID 88965064
[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane
CID 168766205
[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 162490214
triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane
CID 168792001
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
1-(4-tert-butylphenyl)-2-chloroindole
CID 91362505
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
CID 162485372
ditert-butyl-(1-phenylindol-2-yl)phosphane
CID 11175133

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane?
The IUPAC name of [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane (CID 59236792) is [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane?
The canonical SMILES for [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane is CC(C)(C)c1cc2ccccc2n1-c1cc(-n2c(C(C)(C)C)cc3ccccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane?
The InChIKey is HJYFOGRKWRIDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N2Si/c1-47(2,3)45-30-35-20-16-18-28-43(35)49(45)37-32-38(50-44-29-19-17-21-36(44)31-46(50)48(4,5)6)34-42(33-37)51(39-22-10-7-11-23-39,40-24-12-8-13-25-40)41-26-14-9-15-27-41/h7-34H,1-6H3.
What are the key properties of [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane?
[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane has a molecular weight of 679.00 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 59236792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).