tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane

C46H38N2Si — CID 170516194

IUPACtert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c12
InChIInChI=1S/C46H38N2Si/c1-46(2,3)49(35-20-9-5-10-21-35,36-22-11-6-12-23-36)44-29-17-26-39-37-24-13-16-28-42(37)48(45(39)44)34-30-31-43-40(32-34)38-25-14-15-27-41(38)47(43)33-18-7-4-8-19-33/h4-32H,1-3H3
InChIKeyWAJZMRCKXIMJSN-UHFFFAOYSA-N
MW646.91 g/mol
LogP10.15
Rot. Bonds5

About tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane

tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane (PubChem CID 170516194) has the molecular formula C46H38N2Si and a molecular weight of 646.91 g/mol. Its IUPAC name is tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane
PubChem CID170516194
Molecular FormulaC46H38N2Si
Molecular Weight646.91 g/mol
Exact Mass646.28
IUPAC Nametert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c12
InChIInChI=1S/C46H38N2Si/c1-46(2,3)49(35-20-9-5-10-21-35,36-22-11-6-12-23-36)44-29-17-26-39-37-24-13-16-28-42(37)48(45(39)44)34-30-31-43-40(32-34)38-25-14-15-27-41(38)47(43)33-18-7-4-8-19-33/h4-32H,1-3H3
InChIKeyWAJZMRCKXIMJSN-UHFFFAOYSA-N
XLogP10.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.91
LogP ≤ 510.15
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

tert-butyl-diphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane
CID 170516311
tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170515528
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515996
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
diphenyl-(9-phenylcarbazol-1-yl)-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 140842619
[3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515344
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
9-tert-butylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;9-tert-butyl-3,6-di(carbazol-9-yl)carbazole
CID 164959111

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane?
The IUPAC name of tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane (CID 170516194) is tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane.
What is the SMILES notation for tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane?
The canonical SMILES for tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c12.
What is the InChIKey of tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane?
The InChIKey is WAJZMRCKXIMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2Si/c1-46(2,3)49(35-20-9-5-10-21-35,36-22-11-6-12-23-36)44-29-17-26-39-37-24-13-16-28-42(37)48(45(39)44)34-30-31-43-40(32-34)38-25-14-15-27-41(38)47(43)33-18-7-4-8-19-33/h4-32H,1-3H3.
What are the key properties of tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane?
tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane has a molecular weight of 646.91 g/mol, XLogP of 10.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]silane is sourced from PubChem (CID 170516194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).