[4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole

C141H94N6OS2Si — CID 157100494

IUPAC[4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESC[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/2C48H30N2S.C45H34N2OSi/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-2-10-35(11-3-1)49-43-15-7-4-12-37(43)40-28-33(20-25-45(40)49)34-21-26-46-41(29-34)38-13-5-8-16-44(38)50(46)36-23-18-31(19-24-36)32-22-27-48-42(30-32)39-14-6-9-17-47(39)51-48;1-49(2,3)33-21-18-31(19-22-33)46-41-14-8-5-11-35(41)39-26-29(17-25-42(39)46)30-16-23-36-34-10-4-7-13-40(34)47(43(36)27-30)32-20-24-38-37-12-6-9-15-44(37)48-45(38)28-32/h2*1-30H;4-28H,1-3H3
InChIKeyAFSBJVJEZJBQMX-UHFFFAOYSA-N
MW1980.56 g/mol
LogP39.16
Rot. Bonds12

About [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole

[4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 157100494) has the molecular formula C141H94N6OS2Si and a molecular weight of 1980.56 g/mol. Its IUPAC name is [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name[4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID157100494
Molecular FormulaC141H94N6OS2Si
Molecular Weight1980.56 g/mol
Exact Mass1978.67
IUPAC Name[4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESC[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/2C48H30N2S.C45H34N2OSi/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-2-10-35(11-3-1)49-43-15-7-4-12-37(43)40-28-33(20-25-45(40)49)34-21-26-46-41(29-34)38-13-5-8-16-44(38)50(46)36-23-18-31(19-24-36)32-22-27-48-42(30-32)39-14-6-9-17-47(39)51-48;1-49(2,3)33-21-18-31(19-22-33)46-41-14-8-5-11-35(41)39-26-29(17-25-42(39)46)30-16-23-36-34-10-4-7-13-40(34)47(43(36)27-30)32-20-24-38-37-12-6-9-15-44(37)48-45(38)28-32/h2*1-30H;4-28H,1-3H3
InChIKeyAFSBJVJEZJBQMX-UHFFFAOYSA-N
XLogP39.16
TPSA42.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001980.56
LogP ≤ 539.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
15-(4-dibenzothiophen-4-ylphenyl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(9-phenylcarbazol-3-yl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[4-(9-phenylcarbazol-3-yl)phenyl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 158535789
8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168876

Frequently Asked Questions

What is the IUPAC name of [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole (CID 157100494) is [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole is C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)ccc32)cc1.
What is the InChIKey of [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is AFSBJVJEZJBQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N2S.C45H34N2OSi/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-2-10-35(11-3-1)49-43-15-7-4-12-37(43)40-28-33(20-25-45(40)49)34-21-26-46-41(29-34)38-13-5-8-16-44(38)50(46)36-23-18-31(19-24-36)32-22-27-48-42(30-32)39-14-6-9-17-47(39)51-48;1-49(2,3)33-21-18-31(19-22-33)46-41-14-8-5-11-35(41)39-26-29(17-25-42(39)46)30-16-23-36-34-10-4-7-13-40(34)47(43(36)27-30)32-20-24-38-37-12-6-9-15-44(37)48-45(38)28-32/h2*1-30H;4-28H,1-3H3.
What are the key properties of [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
[4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1980.56 g/mol, XLogP of 39.16, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 157100494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).