5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole

C171H104N4O5S3 — CID 157256089

IUPAC5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7cccc8oc9ccccc9c78)cccc6c5c4)c3cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3oc4c(-c5cccc6sc7ccccc7c56)cccc4c3c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(-c5cccc6sc7ccccc7c56)cccc4c3c2)cc1.c1ccc2c(c1)sc1cccc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)c12
InChIInChI=1S/C48H29NOS.C45H29NO2.C42H25NOS.C36H21NOS/c1-3-11-30(12-4-1)32-21-24-42-39(27-32)40-28-33(31-13-5-2-6-14-31)22-25-43(40)49(42)34-23-26-44-41(29-34)37-18-9-17-36(48(37)50-44)35-16-10-20-46-47(35)38-15-7-8-19-45(38)51-46;1-45(2)36-17-6-3-11-27(36)33-24-34-28-12-4-7-18-38(28)46(39(34)25-37(33)45)26-21-22-41-35(23-26)31-16-9-15-30(44(31)48-41)29-14-10-20-42-43(29)32-13-5-8-19-40(32)47-42;1-2-10-26(11-3-1)27-20-22-37-34(24-27)29-12-4-6-17-36(29)43(37)28-21-23-38-35(25-28)32-16-8-15-31(42(32)44-38)30-14-9-19-40-41(30)33-13-5-7-18-39(33)45-40;1-4-15-30-23(9-1)24-10-2-5-16-31(24)37(30)22-19-20-32-29(21-22)27-14-7-13-26(36(27)38-32)25-12-8-18-34-35(25)28-11-3-6-17-33(28)39-34/h1-29H;3-25H,1-2H3;1-25H;1-21H
InChIKeyAWXGVLKCUSYJJP-UHFFFAOYSA-N
MW2390.94 g/mol
LogP49.71
Rot. Bonds11

About 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole

5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole (PubChem CID 157256089) has the molecular formula C171H104N4O5S3 and a molecular weight of 2390.94 g/mol. Its IUPAC name is 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole.

Molecular Properties

Compound Name5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole
PubChem CID157256089
Molecular FormulaC171H104N4O5S3
Molecular Weight2390.94 g/mol
Exact Mass2388.72
IUPAC Name5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7cccc8oc9ccccc9c78)cccc6c5c4)c3cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3oc4c(-c5cccc6sc7ccccc7c56)cccc4c3c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(-c5cccc6sc7ccccc7c56)cccc4c3c2)cc1.c1ccc2c(c1)sc1cccc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)c12
InChIInChI=1S/C48H29NOS.C45H29NO2.C42H25NOS.C36H21NOS/c1-3-11-30(12-4-1)32-21-24-42-39(27-32)40-28-33(31-13-5-2-6-14-31)22-25-43(40)49(42)34-23-26-44-41(29-34)37-18-9-17-36(48(37)50-44)35-16-10-20-46-47(35)38-15-7-8-19-45(38)51-46;1-45(2)36-17-6-3-11-27(36)33-24-34-28-12-4-7-18-38(28)46(39(34)25-37(33)45)26-21-22-41-35(23-26)31-16-9-15-30(44(31)48-41)29-14-10-20-42-43(29)32-13-5-8-19-40(32)47-42;1-2-10-26(11-3-1)27-20-22-37-34(24-27)29-12-4-6-17-36(29)43(37)28-21-23-38-35(25-28)32-16-8-15-31(42(32)44-38)30-14-9-19-40-41(30)33-13-5-7-18-39(33)45-40;1-4-15-30-23(9-1)24-10-2-5-16-31(24)37(30)22-19-20-32-29(21-22)27-14-7-13-26(36(27)38-32)25-12-8-18-34-35(25)28-11-3-6-17-33(28)39-34/h1-29H;3-25H,1-2H3;1-25H;1-21H
InChIKeyAWXGVLKCUSYJJP-UHFFFAOYSA-N
XLogP49.71
TPSA85.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002390.94
LogP ≤ 549.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole with MolForge

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Related Compounds

9-(9-dibenzothiophen-1-yldibenzofuran-2-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole
CID 170285565
5-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 165007296
11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161290833
9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 163897494
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine
CID 126702856
3-dibenzofuran-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 159085521
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159392904
12-(6-dibenzofuran-1-yldibenzofuran-2-yl)-5-naphthalen-2-yl-9-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-5-naphthalen-2-yl-9-phenylindolo[3,2-c]carbazole
CID 158498894
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
15-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-carbazol-9-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-dibenzothiophen-2-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-dibenzothiophen-4-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-dibenzothiophen-3-yl-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(carbazol-9-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(9-phenylcarbazol-3-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-(8-phenyldibenzofuran-2-yl)-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 159078168

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole?
The IUPAC name of 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole (CID 157256089) is 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole.
What is the SMILES notation for 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole?
The canonical SMILES for 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7cccc8oc9ccccc9c78)cccc6c5c4)c3cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3oc4c(-c5cccc6sc7ccccc7c56)cccc4c3c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(-c5cccc6sc7ccccc7c56)cccc4c3c2)cc1.c1ccc2c(c1)sc1cccc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)c12.
What is the InChIKey of 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole?
The InChIKey is AWXGVLKCUSYJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS.C45H29NO2.C42H25NOS.C36H21NOS/c1-3-11-30(12-4-1)32-21-24-42-39(27-32)40-28-33(31-13-5-2-6-14-31)22-25-43(40)49(42)34-23-26-44-41(29-34)37-18-9-17-36(48(37)50-44)35-16-10-20-46-47(35)38-15-7-8-19-45(38)51-46;1-45(2)36-17-6-3-11-27(36)33-24-34-28-12-4-7-18-38(28)46(39(34)25-37(33)45)26-21-22-41-35(23-26)31-16-9-15-30(44(31)48-41)29-14-10-20-42-43(29)32-13-5-8-19-40(32)47-42;1-2-10-26(11-3-1)27-20-22-37-34(24-27)29-12-4-6-17-36(29)43(37)28-21-23-38-35(25-28)32-16-8-15-31(42(32)44-38)30-14-9-19-40-41(30)33-13-5-7-18-39(33)45-40;1-4-15-30-23(9-1)24-10-2-5-16-31(24)37(30)22-19-20-32-29(21-22)27-14-7-13-26(36(27)38-32)25-12-8-18-34-35(25)28-11-3-6-17-33(28)39-34/h1-29H;3-25H,1-2H3;1-25H;1-21H.
What are the key properties of 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole?
5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole has a molecular weight of 2390.94 g/mol, XLogP of 49.71, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole is sourced from PubChem (CID 157256089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).