bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole

C135H92N4O4Si2 — CID 159993360

IUPACbis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole
SMILESC[Si](C)(c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C50H34N2O2Si.C43H29NO.C42H29NOSi/c1-55(2,33-21-25-49-41(29-33)39-27-31(19-23-47(39)53-49)51-43-15-7-3-11-35(43)36-12-4-8-16-44(36)51)34-22-26-50-42(30-34)40-28-32(20-24-48(40)54-50)52-45-17-9-5-13-37(45)38-14-6-10-18-46(38)52;1-4-14-30(15-5-1)43(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-24-26-41-37(28-33)38-29-34(25-27-42(38)45-41)44-39-22-12-10-20-35(39)36-21-11-13-23-40(36)44;1-4-15-31(16-5-1)45(32-17-6-2-7-18-32,33-19-8-3-9-20-33)41-26-14-23-36-37-29-30(27-28-40(37)44-42(36)41)43-38-24-12-10-21-34(38)35-22-11-13-25-39(35)43/h3-30H,1-2H3;2*1-29H
InChIKeyOHFQGPJXFNJYRT-UHFFFAOYSA-N
MW1890.42 g/mol
LogP31.63
Rot. Bonds14

About bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole

bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole (PubChem CID 159993360) has the molecular formula C135H92N4O4Si2 and a molecular weight of 1890.42 g/mol. Its IUPAC name is bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Namebis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole
PubChem CID159993360
Molecular FormulaC135H92N4O4Si2
Molecular Weight1890.42 g/mol
Exact Mass1888.67
IUPAC Namebis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole
SMILESC[Si](C)(c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C50H34N2O2Si.C43H29NO.C42H29NOSi/c1-55(2,33-21-25-49-41(29-33)39-27-31(19-23-47(39)53-49)51-43-15-7-3-11-35(43)36-12-4-8-16-44(36)51)34-22-26-50-42(30-34)40-28-32(20-24-48(40)54-50)52-45-17-9-5-13-37(45)38-14-6-10-18-46(38)52;1-4-14-30(15-5-1)43(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-24-26-41-37(28-33)38-29-34(25-27-42(38)45-41)44-39-22-12-10-20-35(39)36-21-11-13-23-40(36)44;1-4-15-31(16-5-1)45(32-17-6-2-7-18-32,33-19-8-3-9-20-33)41-26-14-23-36-37-29-30(27-28-40(37)44-42(36)41)43-38-24-12-10-21-34(38)35-22-11-13-25-39(35)43/h3-30H,1-2H3;2*1-29H
InChIKeyOHFQGPJXFNJYRT-UHFFFAOYSA-N
XLogP31.63
TPSA72.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001890.42
LogP ≤ 531.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
CID 140924385
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
CID 58049752
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane
CID 140811582
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
4-[(3-bromophenyl)-diphenylmethyl]dibenzofuran;3-carbazol-9-yl-9H-carbazole;bis([3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzofuran-4-yl-diphenylsilane)
CID 159563161
[3-[3-[3-(3-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane
CID 89397736
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
bis[8-[4-(4-carbazol-9-ylphenyl)phenyl]dibenzofuran-4-yl]-diphenylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-[8-[4-(2-carbazol-9-ylphenyl)phenyl]dibenzofuran-4-yl]-diphenylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-[8-[4-(3-carbazol-9-ylphenyl)phenyl]dibenzofuran-4-yl]-diphenylsilane;[8-[4-(2-carbazol-9-ylphenyl)phenyl]dibenzofuran-4-yl]-[8-[4-(4-carbazol-9-ylphenyl)phenyl]dibenzofuran-4-yl]-diphenylsilane;[8-[4-(3-carbazol-9-ylphenyl)phenyl]dibenzofuran-4-yl]-[8-[4-(4-carbazol-9-ylphenyl)phenyl]dibenzofuran-4-yl]-diphenylsilane
CID 161263380
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
CID 140811709
dibenzofuran-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397692
dibenzofuran-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779740
dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171457987

Frequently Asked Questions

What is the IUPAC name of bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole?
The IUPAC name of bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole (CID 159993360) is bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole.
What is the SMILES notation for bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole?
The canonical SMILES for bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole is C[Si](C)(c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.
What is the InChIKey of bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole?
The InChIKey is OHFQGPJXFNJYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O2Si.C43H29NO.C42H29NOSi/c1-55(2,33-21-25-49-41(29-33)39-27-31(19-23-47(39)53-49)51-43-15-7-3-11-35(43)36-12-4-8-16-44(36)51)34-22-26-50-42(30-34)40-28-32(20-24-48(40)54-50)52-45-17-9-5-13-37(45)38-14-6-10-18-46(38)52;1-4-14-30(15-5-1)43(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-24-26-41-37(28-33)38-29-34(25-27-42(38)45-41)44-39-22-12-10-20-35(39)36-21-11-13-23-40(36)44;1-4-15-31(16-5-1)45(32-17-6-2-7-18-32,33-19-8-3-9-20-33)41-26-14-23-36-37-29-30(27-28-40(37)44-42(36)41)43-38-24-12-10-21-34(38)35-22-11-13-25-39(35)43/h3-30H,1-2H3;2*1-29H.
What are the key properties of bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole?
bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole has a molecular weight of 1890.42 g/mol, XLogP of 31.63, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-carbazol-9-yldibenzofuran-2-yl)-dimethylsilane;(8-carbazol-9-yldibenzofuran-4-yl)-triphenylsilane;9-(8-trityldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 159993360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).