N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine

C30H23NO2 — CID 166775387

IUPACN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine
SMILESC1=CC(NC2=CC=C(c3ccc4oc5ccccc5c4c3)CC2)=C2c3ccccc3OC2C1
InChIInChI=1S/C30H23NO2/c1-3-9-26-22(6-1)24-18-20(14-17-28(24)32-26)19-12-15-21(16-13-19)31-25-8-5-11-29-30(25)23-7-2-4-10-27(23)33-29/h1-10,12,14-15,17-18,29,31H,11,13,16H2
InChIKeyLJYUSMDPVQQPCI-UHFFFAOYSA-N
MW429.52 g/mol
LogP7.37
Rot. Bonds3

About N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine

N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine (PubChem CID 166775387) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine
PubChem CID166775387
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC NameN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine
SMILESC1=CC(NC2=CC=C(c3ccc4oc5ccccc5c4c3)CC2)=C2c3ccccc3OC2C1
InChIInChI=1S/C30H23NO2/c1-3-9-26-22(6-1)24-18-20(14-17-28(24)32-26)19-12-15-21(16-13-19)31-25-8-5-11-29-30(25)23-7-2-4-10-27(23)33-29/h1-10,12,14-15,17-18,29,31H,11,13,16H2
InChIKeyLJYUSMDPVQQPCI-UHFFFAOYSA-N
XLogP7.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167143304
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170220392
3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 170238372
2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 167008419
4-cyclohex-1-en-3-yn-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-[4-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]aniline
CID 129301298
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benzene;N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-methylspiro[6,7-dihydrobenzo[b]fluorene-11,9'-fluorene]-2'-amine;ethane
CID 145138018
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N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
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9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 71164662
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938
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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine (CID 166775387) is N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine is C1=CC(NC2=CC=C(c3ccc4oc5ccccc5c4c3)CC2)=C2c3ccccc3OC2C1.
What is the InChIKey of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine?
The InChIKey is LJYUSMDPVQQPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO2/c1-3-9-26-22(6-1)24-18-20(14-17-28(24)32-26)19-12-15-21(16-13-19)31-25-8-5-11-29-30(25)23-7-2-4-10-27(23)33-29/h1-10,12,14-15,17-18,29,31H,11,13,16H2.
What are the key properties of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine?
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine has a molecular weight of 429.52 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-4,4a-dihydrodibenzofuran-1-amine is sourced from PubChem (CID 166775387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).