N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine

C28H25NO — CID 175610558

IUPACN-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine
SMILESCC1C=Cc2c(oc3cccc(Nc4ccc5c(c4)-c4ccccc4C5(C)C)c23)C1
InChIInChI=1S/C28H25NO/c1-17-11-13-20-26(15-17)30-25-10-6-9-24(27(20)25)29-18-12-14-23-21(16-18)19-7-4-5-8-22(19)28(23,2)3/h4-14,16-17,29H,15H2,1-3H3
InChIKeyWNDDKJKZOAJIIT-UHFFFAOYSA-N
MW391.51 g/mol
LogP7.69
Rot. Bonds2

About N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine

N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine (PubChem CID 175610558) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine
PubChem CID175610558
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine
SMILESCC1C=Cc2c(oc3cccc(Nc4ccc5c(c4)-c4ccccc4C5(C)C)c23)C1
InChIInChI=1S/C28H25NO/c1-17-11-13-20-26(15-17)30-25-10-6-9-24(27(20)25)29-18-12-14-23-21(16-18)19-7-4-5-8-22(19)28(23,2)3/h4-14,16-17,29H,15H2,1-3H3
InChIKeyWNDDKJKZOAJIIT-UHFFFAOYSA-N
XLogP7.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine (CID 175610558) is N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine is CC1C=Cc2c(oc3cccc(Nc4ccc5c(c4)-c4ccccc4C5(C)C)c23)C1.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine?
The InChIKey is WNDDKJKZOAJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-17-11-13-20-26(15-17)30-25-10-6-9-24(27(20)25)29-18-12-14-23-21(16-18)19-7-4-5-8-22(19)28(23,2)3/h4-14,16-17,29H,15H2,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine?
N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine has a molecular weight of 391.51 g/mol, XLogP of 7.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-7-methyl-6,7-dihydrodibenzofuran-1-amine is sourced from PubChem (CID 175610558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).