9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole

C48H33NSi — CID 153426549

IUPAC9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H33NSi/c1-5-16-34(17-6-1)36-28-30-43-41(32-36)42-33-37(35-18-7-2-8-19-35)29-31-44(42)49(43)45-25-15-27-47-48(45)40-24-13-14-26-46(40)50(47,38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-33H
InChIKeyXGLZVFPZCHDERY-UHFFFAOYSA-N
MW651.89 g/mol
LogP9.48
Rot. Bonds5

About 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole

9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole (PubChem CID 153426549) has the molecular formula C48H33NSi and a molecular weight of 651.89 g/mol. Its IUPAC name is 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole
PubChem CID153426549
Molecular FormulaC48H33NSi
Molecular Weight651.89 g/mol
Exact Mass651.24
IUPAC Name9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H33NSi/c1-5-16-34(17-6-1)36-28-30-43-41(32-36)42-33-37(35-18-7-2-8-19-35)29-31-44(42)49(43)45-25-15-27-47-48(45)40-24-13-14-26-46(40)50(47,38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-33H
InChIKeyXGLZVFPZCHDERY-UHFFFAOYSA-N
XLogP9.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.89
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
CID 90337243
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
CID 177291134
[4-[1-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166589033
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177132563
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
10,10-diphenyl-5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[b][1,4]benzazasiline
CID 90393939
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole
CID 164786985
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
9-[4-carbazol-9-yl-6-[2,4,6-trideuterio-3-(1,5-diphenylbenzo[b][1]benzosilol-5-yl)-5-(3,5-diphenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168800187

Frequently Asked Questions

What is the IUPAC name of 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole (CID 153426549) is 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole?
The InChIKey is XGLZVFPZCHDERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NSi/c1-5-16-34(17-6-1)36-28-30-43-41(32-36)42-33-37(35-18-7-2-8-19-35)29-31-44(42)49(43)45-25-15-27-47-48(45)40-24-13-14-26-46(40)50(47,38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-33H.
What are the key properties of 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole?
9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole has a molecular weight of 651.89 g/mol, XLogP of 9.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 153426549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).