1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran

C30H36O — CID 59348416

IUPAC1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c3c(oc4c(C)c(C)c(C)c(C)c43)c2C)c(C)c1C
InChIInChI=1S/C30H36O/c1-13-14(2)18(6)25(19(7)15(13)3)26-21(9)22(10)28-27-20(8)16(4)17(5)23(11)29(27)31-30(28)24(26)12/h1-12H3
InChIKeyMYVNVZDTSMVVCL-UHFFFAOYSA-N
MW412.62 g/mol
LogP8.95
Rot. Bonds1

About 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran

1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran (PubChem CID 59348416) has the molecular formula C30H36O and a molecular weight of 412.62 g/mol. Its IUPAC name is 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran.

Molecular Properties

Compound Name1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran
PubChem CID59348416
Molecular FormulaC30H36O
Molecular Weight412.62 g/mol
Exact Mass412.28
IUPAC Name1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c3c(oc4c(C)c(C)c(C)c(C)c43)c2C)c(C)c1C
InChIInChI=1S/C30H36O/c1-13-14(2)18(6)25(19(7)15(13)3)26-21(9)22(10)28-27-20(8)16(4)17(5)23(11)29(27)31-30(28)24(26)12/h1-12H3
InChIKeyMYVNVZDTSMVVCL-UHFFFAOYSA-N
XLogP8.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran?
The IUPAC name of 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran (CID 59348416) is 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran.
What is the SMILES notation for 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran?
The canonical SMILES for 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran is Cc1c(C)c(C)c(-c2c(C)c(C)c3c(oc4c(C)c(C)c(C)c(C)c43)c2C)c(C)c1C.
What is the InChIKey of 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran?
The InChIKey is MYVNVZDTSMVVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O/c1-13-14(2)18(6)25(19(7)15(13)3)26-21(9)22(10)28-27-20(8)16(4)17(5)23(11)29(27)31-30(28)24(26)12/h1-12H3.
What are the key properties of 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran?
1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran has a molecular weight of 412.62 g/mol, XLogP of 8.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran is sourced from PubChem (CID 59348416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).