3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

C150H94N6O2S — CID 158805799

IUPAC3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7oc8ccccc8c67)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H34N2S.2C48H30N2O/c1-3-12-35(13-4-1)36-22-27-41(28-23-36)56-51-30-25-38(37-24-29-50-46(32-37)43-16-7-9-20-49(43)55(50)40-14-5-2-6-15-40)33-47(51)48-34-39(26-31-52(48)56)42-18-11-19-45-44-17-8-10-21-53(44)57-54(42)45;1-3-12-34(13-4-1)49-42-19-9-7-16-37(42)39-28-31(22-25-43(39)49)32-23-26-44-40(29-32)41-30-33(24-27-45(41)50(44)35-14-5-2-6-15-35)36-18-11-21-47-48(36)38-17-8-10-20-46(38)51-47;1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(19-23-44(39)49)32-20-24-45-40(28-32)41-29-33(21-25-46(41)50(45)36-13-5-2-6-14-36)34-22-26-48-42(30-34)38-16-8-10-18-47(38)51-48/h1-34H;2*1-30H
InChIKeyIUBGKWOIACWJSA-UHFFFAOYSA-N
MW2044.51 g/mol
LogP41.48
Rot. Bonds13

About 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 158805799) has the molecular formula C150H94N6O2S and a molecular weight of 2044.51 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID158805799
Molecular FormulaC150H94N6O2S
Molecular Weight2044.51 g/mol
Exact Mass2042.72
IUPAC Name3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7oc8ccccc8c67)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H34N2S.2C48H30N2O/c1-3-12-35(13-4-1)36-22-27-41(28-23-36)56-51-30-25-38(37-24-29-50-46(32-37)43-16-7-9-20-49(43)55(50)40-14-5-2-6-15-40)33-47(51)48-34-39(26-31-52(48)56)42-18-11-19-45-44-17-8-10-21-53(44)57-54(42)45;1-3-12-34(13-4-1)49-42-19-9-7-16-37(42)39-28-31(22-25-43(39)49)32-23-26-44-40(29-32)41-30-33(24-27-45(41)50(44)35-14-5-2-6-15-35)36-18-11-21-47-48(36)38-17-8-10-20-46(38)51-47;1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(19-23-44(39)49)32-20-24-45-40(28-32)41-29-33(21-25-46(41)50(45)36-13-5-2-6-14-36)34-22-26-48-42(30-34)38-16-8-10-18-47(38)51-48/h1-34H;2*1-30H
InChIKeyIUBGKWOIACWJSA-UHFFFAOYSA-N
XLogP41.48
TPSA55.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002044.51
LogP ≤ 541.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161380088
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
9-dibenzofuran-4-yl-3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]carbazole
CID 165067724
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168876
3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 157117885
3-dibenzofuran-2-yl-9-[1-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-yl]carbazole
CID 163711686
11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 90050891
3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 160985917
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (CID 158805799) is 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7oc8ccccc8c67)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is IUBGKWOIACWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S.2C48H30N2O/c1-3-12-35(13-4-1)36-22-27-41(28-23-36)56-51-30-25-38(37-24-29-50-46(32-37)43-16-7-9-20-49(43)55(50)40-14-5-2-6-15-40)33-47(51)48-34-39(26-31-52(48)56)42-18-11-19-45-44-17-8-10-21-53(44)57-54(42)45;1-3-12-34(13-4-1)49-42-19-9-7-16-37(42)39-28-31(22-25-43(39)49)32-23-26-44-40(29-32)41-30-33(24-27-45(41)50(44)35-14-5-2-6-15-35)36-18-11-21-47-48(36)38-17-8-10-20-46(38)51-47;1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(19-23-44(39)49)32-20-24-45-40(28-32)41-29-33(21-25-46(41)50(45)36-13-5-2-6-14-36)34-22-26-48-42(30-34)38-16-8-10-18-47(38)51-48/h1-34H;2*1-30H.
What are the key properties of 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 2044.51 g/mol, XLogP of 41.48, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 158805799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).