9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole

C46H27N3OS — CID 58501585

IUPAC9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole
SMILESc1ccc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)nc1
InChIInChI=1S/C46H27N3OS/c1-3-13-41-32(8-1)34-24-29(15-19-42(34)49(41)31-18-20-44-35(27-31)33-9-2-4-14-43(33)50-44)39-11-7-12-40(48-39)30-17-22-46-37(26-30)36-25-28(16-21-45(36)51-46)38-10-5-6-23-47-38/h1-27H
InChIKeyROIBXCFGCXWOKB-UHFFFAOYSA-N
MW669.81 g/mol
LogP12.84
Rot. Bonds4

About 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole

9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole (PubChem CID 58501585) has the molecular formula C46H27N3OS and a molecular weight of 669.81 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole
PubChem CID58501585
Molecular FormulaC46H27N3OS
Molecular Weight669.81 g/mol
Exact Mass669.19
IUPAC Name9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole
SMILESc1ccc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)nc1
InChIInChI=1S/C46H27N3OS/c1-3-13-41-32(8-1)34-24-29(15-19-42(34)49(41)31-18-20-44-35(27-31)33-9-2-4-14-43(33)50-44)39-11-7-12-40(48-39)30-17-22-46-37(26-30)36-25-28(16-21-45(36)51-46)38-10-5-6-23-47-38/h1-27H
InChIKeyROIBXCFGCXWOKB-UHFFFAOYSA-N
XLogP12.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.81
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole (CID 58501585) is 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole is c1ccc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)nc1.
What is the InChIKey of 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole?
The InChIKey is ROIBXCFGCXWOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3OS/c1-3-13-41-32(8-1)34-24-29(15-19-42(34)49(41)31-18-20-44-35(27-31)33-9-2-4-14-43(33)50-44)39-11-7-12-40(48-39)30-17-22-46-37(26-30)36-25-28(16-21-45(36)51-46)38-10-5-6-23-47-38/h1-27H.
What are the key properties of 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole?
9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole has a molecular weight of 669.81 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 58501585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).