1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine

C48H34N2O2Si2 — CID 90294965

IUPAC1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine
SMILESc1ccc([Si]2(c3ccccc3)N(c3cccc4oc5ccccc5c34)[Si](c3ccccc3)(c3ccccc3)N2c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C48H34N2O2Si2/c1-5-19-35(20-6-1)53(36-21-7-2-8-22-36)49(41-29-17-33-45-47(41)39-27-13-15-31-43(39)51-45)54(37-23-9-3-10-24-37,38-25-11-4-12-26-38)50(53)42-30-18-34-46-48(42)40-28-14-16-32-44(40)52-46/h1-34H
InChIKeyUQHJZFOSICOVON-UHFFFAOYSA-N
MW726.98 g/mol
LogP9.33
Rot. Bonds6

About 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine

1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine (PubChem CID 90294965) has the molecular formula C48H34N2O2Si2 and a molecular weight of 726.98 g/mol. Its IUPAC name is 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine.

Molecular Properties

Compound Name1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine
PubChem CID90294965
Molecular FormulaC48H34N2O2Si2
Molecular Weight726.98 g/mol
Exact Mass726.22
IUPAC Name1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine
SMILESc1ccc([Si]2(c3ccccc3)N(c3cccc4oc5ccccc5c34)[Si](c3ccccc3)(c3ccccc3)N2c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C48H34N2O2Si2/c1-5-19-35(20-6-1)53(36-21-7-2-8-22-36)49(41-29-17-33-45-47(41)39-27-13-15-31-43(39)51-45)54(37-23-9-3-10-24-37,38-25-11-4-12-26-38)50(53)42-30-18-34-46-48(42)40-28-14-16-32-44(40)52-46/h1-34H
InChIKeyUQHJZFOSICOVON-UHFFFAOYSA-N
XLogP9.33
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.98
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-dibenzofuran-1-yl-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 138729692
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
15-dibenzofuran-1-yl-10,20-diphenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 174349977
9-dibenzofuran-1-yl-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369922
CID 88536732
CID 88536732
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
2-deuteriodibenzofuran
CID 90735776
9-dibenzofuran-1-yl-3-iodocarbazole
CID 90291712
9-dibenzofuran-1-yl-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414752
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247

Frequently Asked Questions

What is the IUPAC name of 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?
The IUPAC name of 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine (CID 90294965) is 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine.
What is the SMILES notation for 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?
The canonical SMILES for 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine is c1ccc([Si]2(c3ccccc3)N(c3cccc4oc5ccccc5c34)[Si](c3ccccc3)(c3ccccc3)N2c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?
The InChIKey is UQHJZFOSICOVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O2Si2/c1-5-19-35(20-6-1)53(36-21-7-2-8-22-36)49(41-29-17-33-45-47(41)39-27-13-15-31-43(39)51-45)54(37-23-9-3-10-24-37,38-25-11-4-12-26-38)50(53)42-30-18-34-46-48(42)40-28-14-16-32-44(40)52-46/h1-34H.
What are the key properties of 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine?
1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine has a molecular weight of 726.98 g/mol, XLogP of 9.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(dibenzofuran-1-yl)-2,2,4,4-tetraphenyl-1,3,2,4-diazadisiletidine is sourced from PubChem (CID 90294965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).