9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole

C51H33NOS — CID 163914727

IUPAC9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5c4sc4ccccc45)c4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C51H33NOS/c1-51(2)42-18-7-3-12-33(42)39-26-30(22-24-43(39)51)31-23-25-45-40(27-31)34-13-4-8-19-44(34)52(45)32-28-41(49-38-15-5-9-20-46(38)53-47(49)29-32)37-17-11-16-36-35-14-6-10-21-48(35)54-50(36)37/h3-29H,1-2H3
InChIKeyQVFVRCCZLBIIEZ-UHFFFAOYSA-N
MW707.90 g/mol
LogP14.69
Rot. Bonds3

About 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole

9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole (PubChem CID 163914727) has the molecular formula C51H33NOS and a molecular weight of 707.90 g/mol. Its IUPAC name is 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole.

Molecular Properties

Compound Name9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
PubChem CID163914727
Molecular FormulaC51H33NOS
Molecular Weight707.90 g/mol
Exact Mass707.23
IUPAC Name9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5c4sc4ccccc45)c4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C51H33NOS/c1-51(2)42-18-7-3-12-33(42)39-26-30(22-24-43(39)51)31-23-25-45-40(27-31)34-13-4-8-19-44(34)52(45)32-28-41(49-38-15-5-9-20-46(38)53-47(49)29-32)37-17-11-16-36-35-14-6-10-21-48(35)54-50(36)37/h3-29H,1-2H3
InChIKeyQVFVRCCZLBIIEZ-UHFFFAOYSA-N
XLogP14.69
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.90
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 163897494
3-dibenzofuran-2-yl-9-[1-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-yl]carbazole
CID 163711686
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
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
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159640666
3,9-bis(9-phenylcarbazol-3-yl)carbazole;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;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 162097761
9-dibenzofuran-3-yl-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161235819
9-(9-dibenzothiophen-1-yldibenzofuran-2-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole
CID 170285565
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 160969418
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole
CID 159042536
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
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 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
The IUPAC name of 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole (CID 163914727) is 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole.
What is the SMILES notation for 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
The canonical SMILES for 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5c4sc4ccccc45)c4c(c3)oc3ccccc34)ccc21.
What is the InChIKey of 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
The InChIKey is QVFVRCCZLBIIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NOS/c1-51(2)42-18-7-3-12-33(42)39-26-30(22-24-43(39)51)31-23-25-45-40(27-31)34-13-4-8-19-44(34)52(45)32-28-41(49-38-15-5-9-20-46(38)53-47(49)29-32)37-17-11-16-36-35-14-6-10-21-48(35)54-50(36)37/h3-29H,1-2H3.
What are the key properties of 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole has a molecular weight of 707.90 g/mol, XLogP of 14.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole is sourced from PubChem (CID 163914727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).