5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole

C41H23N3O2 — CID 163654319

IUPAC5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3cccnc3c2c1
InChIInChI=1S/C41H23N3O2/c1-4-11-32-26(8-1)30-22-24(15-18-34(30)43(32)25-16-20-37-31(23-25)40-38(45-37)14-7-21-42-40)44-33-12-5-2-10-29(33)39-35(44)19-17-28-27-9-3-6-13-36(27)46-41(28)39/h1-23H
InChIKeyIOWBDLBSSPAQPO-UHFFFAOYSA-N
MW589.65 g/mol
LogP11.07
Rot. Bonds2

About 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole

5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 163654319) has the molecular formula C41H23N3O2 and a molecular weight of 589.65 g/mol. Its IUPAC name is 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID163654319
Molecular FormulaC41H23N3O2
Molecular Weight589.65 g/mol
Exact Mass589.18
IUPAC Name5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3cccnc3c2c1
InChIInChI=1S/C41H23N3O2/c1-4-11-32-26(8-1)30-22-24(15-18-34(30)43(32)25-16-20-37-31(23-25)40-38(45-37)14-7-21-42-40)44-33-12-5-2-10-29(33)39-35(44)19-17-28-27-9-3-6-13-36(27)46-41(28)39/h1-23H
InChIKeyIOWBDLBSSPAQPO-UHFFFAOYSA-N
XLogP11.07
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole (CID 163654319) is 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3cccnc3c2c1.
What is the InChIKey of 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is IOWBDLBSSPAQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N3O2/c1-4-11-32-26(8-1)30-22-24(15-18-34(30)43(32)25-16-20-37-31(23-25)40-38(45-37)14-7-21-42-40)44-33-12-5-2-10-29(33)39-35(44)19-17-28-27-9-3-6-13-36(27)46-41(28)39/h1-23H.
What are the key properties of 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 589.65 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163654319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).