9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole

C53H30N2O2S — CID 89433865

IUPAC9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5ccc(-c6cncc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)c6)cc5c4c3)cccc12
InChIInChI=1S/C53H30N2O2S/c1-4-13-46-38(8-1)39-9-2-5-14-47(39)55(46)36-19-23-51-45(28-36)43-26-32(17-21-49(43)57-51)35-24-34(29-54-30-35)31-16-20-48-42(25-31)44-27-33(18-22-50(44)56-48)37-11-7-12-41-40-10-3-6-15-52(40)58-53(37)41/h1-30H
InChIKeyCOFFZVLJCUUZHM-UHFFFAOYSA-N
MW758.90 g/mol
LogP15.35
Rot. Bonds4

About 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole

9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole (PubChem CID 89433865) has the molecular formula C53H30N2O2S and a molecular weight of 758.90 g/mol. Its IUPAC name is 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
PubChem CID89433865
Molecular FormulaC53H30N2O2S
Molecular Weight758.90 g/mol
Exact Mass758.20
IUPAC Name9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5ccc(-c6cncc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)c6)cc5c4c3)cccc12
InChIInChI=1S/C53H30N2O2S/c1-4-13-46-38(8-1)39-9-2-5-14-47(39)55(46)36-19-23-51-45(28-36)43-26-32(17-21-49(43)57-51)35-24-34(29-54-30-35)31-16-20-48-42(25-31)44-27-33(18-22-50(44)56-48)37-11-7-12-41-40-10-3-6-15-52(40)58-53(37)41/h1-30H
InChIKeyCOFFZVLJCUUZHM-UHFFFAOYSA-N
XLogP15.35
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.90
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole with MolForge

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Related Compounds

4-[3-(6-Methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine
CID 24747930
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
9-[8-(9-Fluorodibenzofuran-2-yl)dibenzofuran-2-yl]carbazole
CID 121420191
11-[6-(2,3,5,6-Tetrafluorophenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 122435450
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
1-N-dibenzothiophen-2-yl-7-N-(9-fluorodibenzothiophen-2-yl)-1-N-phenyl-7-N-pyridin-3-yldibenzofuran-1,7-diamine
CID 132180668
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
N-dibenzofuran-1-yl-N-dibenzothiophen-4-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138716829
N-dibenzofuran-1-yl-N-dibenzothiophen-2-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138716830
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716840
N-dibenzothiophen-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716841

Frequently Asked Questions

What is the IUPAC name of 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole (CID 89433865) is 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole is c1ccc2c(c1)sc1c(-c3ccc4oc5ccc(-c6cncc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)c6)cc5c4c3)cccc12.
What is the InChIKey of 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole?
The InChIKey is COFFZVLJCUUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N2O2S/c1-4-13-46-38(8-1)39-9-2-5-14-47(39)55(46)36-19-23-51-45(28-36)43-26-32(17-21-49(43)57-51)35-24-34(29-54-30-35)31-16-20-48-42(25-31)44-27-33(18-22-50(44)56-48)37-11-7-12-41-40-10-3-6-15-52(40)58-53(37)41/h1-30H.
What are the key properties of 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole?
9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole has a molecular weight of 758.90 g/mol, XLogP of 15.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 89433865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).