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

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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).