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

C20H17NO — CID 167453025

IUPAC12H-[1]benzofuro[3,2-a]carbazole;ethane
SMILESCC.c1ccc2c(c1)[nH]c1c2ccc2oc3ccccc3c21
InChIInChI=1S/C18H11NO.C2H6/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;1-2/h1-10,19H;1-2H3
InChIKeyZTRKUPOZOJVSOB-UHFFFAOYSA-N
MW287.36 g/mol
LogP6.25
Rot. Bonds

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

12H-[1]benzofuro[3,2-a]carbazole;ethane (PubChem CID 167453025) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 12H-[1]benzofuro[3,2-a]carbazole;ethane.

Molecular Properties

Compound Name12H-[1]benzofuro[3,2-a]carbazole;ethane
PubChem CID167453025
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name12H-[1]benzofuro[3,2-a]carbazole;ethane
SMILESCC.c1ccc2c(c1)[nH]c1c2ccc2oc3ccccc3c21
InChIInChI=1S/C18H11NO.C2H6/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;1-2/h1-10,19H;1-2H3
InChIKeyZTRKUPOZOJVSOB-UHFFFAOYSA-N
XLogP6.25
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.36
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248383
12H-[1]benzofuro[2,3-a]carbazole;ethane
CID 145125553
9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
CID 142742550
3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
CID 174076879
CID 174076879
CID 142290538
CID 142290538
2-(2-phenyl-9H-carbazol-1-yl)-1H-[1]benzofuro[2,3-g]indole
CID 166134224
23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
CID 132526373
3-methyl-2-[(Z)-prop-1-enyl]-1H-[1]benzofuro[2,3-g]indole
CID 167453493
11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene
CID 134343889
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
CID 166134655
bis(9H-carbazole);ethane
CID 145072085

Frequently Asked Questions

What is the IUPAC name of 12H-[1]benzofuro[3,2-a]carbazole;ethane?
The IUPAC name of 12H-[1]benzofuro[3,2-a]carbazole;ethane (CID 167453025) is 12H-[1]benzofuro[3,2-a]carbazole;ethane.
What is the SMILES notation for 12H-[1]benzofuro[3,2-a]carbazole;ethane?
The canonical SMILES for 12H-[1]benzofuro[3,2-a]carbazole;ethane is CC.c1ccc2c(c1)[nH]c1c2ccc2oc3ccccc3c21.
What is the InChIKey of 12H-[1]benzofuro[3,2-a]carbazole;ethane?
The InChIKey is ZTRKUPOZOJVSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO.C2H6/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;1-2/h1-10,19H;1-2H3.
What are the key properties of 12H-[1]benzofuro[3,2-a]carbazole;ethane?
12H-[1]benzofuro[3,2-a]carbazole;ethane has a molecular weight of 287.36 g/mol, XLogP of 6.25, 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;ethane is sourced from PubChem (CID 167453025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).