2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole

C42H25N3O — CID 59146980

IUPAC2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4c(cc3c2c1)oc1ccc(-n2c3ccccc3c3ccccc32)cc14
InChIInChI=1S/C42H25N3O/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)44(37)25-17-19-35-31(21-25)32-24-42-34(23-36(32)43-35)33-22-26(18-20-41(33)46-42)45-39-15-7-3-11-29(39)30-12-4-8-16-40(30)45/h1-24,43H
InChIKeyZHMCUWWWNYGLDK-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.41
Rot. Bonds2

About 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole

2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole (PubChem CID 59146980) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole
PubChem CID59146980
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4c(cc3c2c1)oc1ccc(-n2c3ccccc3c3ccccc32)cc14
InChIInChI=1S/C42H25N3O/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)44(37)25-17-19-35-31(21-25)32-24-42-34(23-36(32)43-35)33-22-26(18-20-41(33)46-42)45-39-15-7-3-11-29(39)30-12-4-8-16-40(30)45/h1-24,43H
InChIKeyZHMCUWWWNYGLDK-UHFFFAOYSA-N
XLogP11.41
TPSA38.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole (CID 59146980) is 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4c(cc3c2c1)oc1ccc(-n2c3ccccc3c3ccccc32)cc14.
What is the InChIKey of 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole?
The InChIKey is ZHMCUWWWNYGLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)44(37)25-17-19-35-31(21-25)32-24-42-34(23-36(32)43-35)33-22-26(18-20-41(33)46-42)45-39-15-7-3-11-29(39)30-12-4-8-16-40(30)45/h1-24,43H.
What are the key properties of 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole?
2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole has a molecular weight of 587.68 g/mol, XLogP of 11.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 59146980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).