N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine

C27H21NO2 — CID 168806172

IUPACN-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(Nc3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C27H21NO2/c1-27(2)20-10-4-6-13-24(20)29-25-16-17(14-15-21(25)27)28-22-11-7-9-19-18-8-3-5-12-23(18)30-26(19)22/h3-16,28H,1-2H3
InChIKeyBIRWCGHLZHJGNL-UHFFFAOYSA-N
MW391.47 g/mol
LogP7.76
Rot. Bonds2

About N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine

N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine (PubChem CID 168806172) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
PubChem CID168806172
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC NameN-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(Nc3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C27H21NO2/c1-27(2)20-10-4-6-13-24(20)29-25-16-17(14-15-21(25)27)28-22-11-7-9-19-18-8-3-5-12-23(18)30-26(19)22/h3-16,28H,1-2H3
InChIKeyBIRWCGHLZHJGNL-UHFFFAOYSA-N
XLogP7.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-phenylxanthen-3-amine
CID 156524764
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177297955
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
N-[2-(9-methylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 129293089
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 165382201
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
CID 156735737
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114269
N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139568225

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine?
The IUPAC name of N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine (CID 168806172) is N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine?
The canonical SMILES for N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine is CC1(C)c2ccccc2Oc2cc(Nc3cccc4c3oc3ccccc34)ccc21.
What is the InChIKey of N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine?
The InChIKey is BIRWCGHLZHJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c1-27(2)20-10-4-6-13-24(20)29-25-16-17(14-15-21(25)27)28-22-11-7-9-19-18-8-3-5-12-23(18)30-26(19)22/h3-16,28H,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine?
N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine has a molecular weight of 391.47 g/mol, XLogP of 7.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine is sourced from PubChem (CID 168806172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).