3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole

C61H37NOS — CID 170279003

IUPAC3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c(c4)sc4ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc45)cccc32)cc1
InChIInChI=1S/C61H37NOS/c1-3-14-41(15-4-1)61(42-16-5-2-6-17-42)52-22-10-7-20-48(52)60-44(21-13-23-53(60)61)40-26-30-47-51-37-43(29-33-58(51)64-59(47)36-40)62-54-24-11-8-18-45(54)49-34-38(27-31-55(49)62)39-28-32-57-50(35-39)46-19-9-12-25-56(46)63-57/h1-37H
InChIKeyKXFDNZZHXOGPGJ-UHFFFAOYSA-N
MW832.04 g/mol
LogP16.75
Rot. Bonds5

About 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole

3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 170279003) has the molecular formula C61H37NOS and a molecular weight of 832.04 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
PubChem CID170279003
Molecular FormulaC61H37NOS
Molecular Weight832.04 g/mol
Exact Mass831.26
IUPAC Name3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c(c4)sc4ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc45)cccc32)cc1
InChIInChI=1S/C61H37NOS/c1-3-14-41(15-4-1)61(42-16-5-2-6-17-42)52-22-10-7-20-48(52)60-44(21-13-23-53(60)61)40-26-30-47-51-37-43(29-33-58(51)64-59(47)36-40)62-54-24-11-8-18-45(54)49-34-38(27-31-55(49)62)39-28-32-57-50(35-39)46-19-9-12-25-56(46)63-57/h1-37H
InChIKeyKXFDNZZHXOGPGJ-UHFFFAOYSA-N
XLogP16.75
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.04
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole;9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-(4-dibenzofuran-2-ylphenyl)carbazole;3,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 160619262
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;9-(9,9'-spirobi[fluorene]-3-yl)carbazole;2-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran;2-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene
CID 158488160
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
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
2-(10-dibenzofuran-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzofuran-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;9-phenyl-3-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 157231984
3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-9-yl]dibenzothiophen-2-yl]carbazole
CID 152935569

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole (CID 170279003) is 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c(c4)sc4ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc45)cccc32)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is KXFDNZZHXOGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NOS/c1-3-14-41(15-4-1)61(42-16-5-2-6-17-42)52-22-10-7-20-48(52)60-44(21-13-23-53(60)61)40-26-30-47-51-37-43(29-33-58(51)64-59(47)36-40)62-54-24-11-8-18-45(54)49-34-38(27-31-55(49)62)39-28-32-57-50(35-39)46-19-9-12-25-56(46)63-57/h1-37H.
What are the key properties of 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole has a molecular weight of 832.04 g/mol, XLogP of 16.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 170279003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).