[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane

C50H45NOSi — CID 58049752

IUPAC[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C50H45NOSi/c1-49(2,3)34-22-26-45-41(30-34)42-31-35(50(4,5)6)23-27-46(42)51(45)36-24-28-47-43(32-36)44-33-40(25-29-48(44)52-47)53(37-16-10-7-11-17-37,38-18-12-8-13-19-38)39-20-14-9-15-21-39/h7-33H,1-6H3
InChIKeySCJSJLJQGMUWSR-UHFFFAOYSA-N
MW704.00 g/mol
LogP10.66
Rot. Bonds5

About [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane

[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane (PubChem CID 58049752) has the molecular formula C50H45NOSi and a molecular weight of 704.00 g/mol. Its IUPAC name is [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
PubChem CID58049752
Molecular FormulaC50H45NOSi
Molecular Weight704.00 g/mol
Exact Mass703.33
IUPAC Name[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C50H45NOSi/c1-49(2,3)34-22-26-45-41(30-34)42-31-35(50(4,5)6)23-27-46(42)51(45)36-24-28-47-43(32-36)44-33-40(25-29-48(44)52-47)53(37-16-10-7-11-17-37,38-18-12-8-13-19-38)39-20-14-9-15-21-39/h7-33H,1-6H3
InChIKeySCJSJLJQGMUWSR-UHFFFAOYSA-N
XLogP10.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.00
LogP ≤ 510.66
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

bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
CID 59147251
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
9-[8-(3-tert-butylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;9-[3-(3-tert-butylcarbazol-9-yl)phenyl]carbazole-3-carbonitrile;9-[3-(3-tert-butylcarbazol-9-yl)phenyl]carbazole-3,6-dicarbonitrile;9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;9-[3-(3-trimethylsilylcarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 164969672
bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole
CID 159993360
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880
(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
CID 174101281
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile
CID 123762186
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
CID 134343654
[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

Frequently Asked Questions

What is the IUPAC name of [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane?
The IUPAC name of [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane (CID 58049752) is [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane.
What is the SMILES notation for [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane?
The canonical SMILES for [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1.
What is the InChIKey of [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane?
The InChIKey is SCJSJLJQGMUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45NOSi/c1-49(2,3)34-22-26-45-41(30-34)42-31-35(50(4,5)6)23-27-46(42)51(45)36-24-28-47-43(32-36)44-33-40(25-29-48(44)52-47)53(37-16-10-7-11-17-37,38-18-12-8-13-19-38)39-20-14-9-15-21-39/h7-33H,1-6H3.
What are the key properties of [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane?
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane has a molecular weight of 704.00 g/mol, XLogP of 10.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane is sourced from PubChem (CID 58049752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).