1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran

C26H30O — CID 59287925

IUPAC1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran
SMILESCc1c(C)c(C)c2c(oc3c(C)c(C)c4c(C)c(C)c(C)c(C)c4c32)c1C
InChIInChI=1S/C26H30O/c1-11-12(2)16(6)22-21(15(11)5)18(8)20(10)26-24(22)23-17(7)13(3)14(4)19(9)25(23)27-26/h1-10H3
InChIKeyJQBVOGQZJKPGFG-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.82
Rot. Bonds

About 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran

1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran (PubChem CID 59287925) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran
PubChem CID59287925
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran
SMILESCc1c(C)c(C)c2c(oc3c(C)c(C)c4c(C)c(C)c(C)c(C)c4c32)c1C
InChIInChI=1S/C26H30O/c1-11-12(2)16(6)22-21(15(11)5)18(8)20(10)26-24(22)23-17(7)13(3)14(4)19(9)25(23)27-26/h1-10H3
InChIKeyJQBVOGQZJKPGFG-UHFFFAOYSA-N
XLogP7.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran?
The IUPAC name of 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran (CID 59287925) is 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran is Cc1c(C)c(C)c2c(oc3c(C)c(C)c4c(C)c(C)c(C)c(C)c4c32)c1C.
What is the InChIKey of 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran?
The InChIKey is JQBVOGQZJKPGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-11-12(2)16(6)22-21(15(11)5)18(8)20(10)26-24(22)23-17(7)13(3)14(4)19(9)25(23)27-26/h1-10H3.
What are the key properties of 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran?
1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran has a molecular weight of 358.53 g/mol, XLogP of 7.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8,9,10,11-decamethylnaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 59287925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).