12H-[1]benzofuro[3,2-a]carbazole

C18H11NO — CID 58489692

IUPAC12H-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)[nH]c1c2ccc2oc3ccccc3c21
InChIInChI=1S/C18H11NO/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)19-14)13-6-2-4-8-15(13)20-16/h1-10,19H
InChIKeyDERKMBVPWKXOHM-UHFFFAOYSA-N
MW257.29 g/mol
LogP5.22
Rot. Bonds

About 12H-[1]benzofuro[3,2-a]carbazole

12H-[1]benzofuro[3,2-a]carbazole (PubChem CID 58489692) has the molecular formula C18H11NO and a molecular weight of 257.29 g/mol. Its IUPAC name is 12H-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12H-[1]benzofuro[3,2-a]carbazole
PubChem CID58489692
Molecular FormulaC18H11NO
Molecular Weight257.29 g/mol
Exact Mass257.08
IUPAC Name12H-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)[nH]c1c2ccc2oc3ccccc3c21
InChIInChI=1S/C18H11NO/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)19-14)13-6-2-4-8-15(13)20-16/h1-10,19H
InChIKeyDERKMBVPWKXOHM-UHFFFAOYSA-N
XLogP5.22
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12H-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12H-[1]benzofuro[3,2-a]carbazole (CID 58489692) is 12H-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12H-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12H-[1]benzofuro[3,2-a]carbazole is c1ccc2c(c1)[nH]c1c2ccc2oc3ccccc3c21.
What is the InChIKey of 12H-[1]benzofuro[3,2-a]carbazole?
The InChIKey is DERKMBVPWKXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)19-14)13-6-2-4-8-15(13)20-16/h1-10,19H.
What are the key properties of 12H-[1]benzofuro[3,2-a]carbazole?
12H-[1]benzofuro[3,2-a]carbazole has a molecular weight of 257.29 g/mol, XLogP of 5.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 58489692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).