N,N-diphenyldibenzofuran-4-amine;ethane

C40H65NO — CID 158587957

IUPACN,N-diphenyldibenzofuran-4-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C24H17NO.8C2H6/c1-3-10-18(11-4-1)25(19-12-5-2-6-13-19)22-16-9-15-21-20-14-7-8-17-23(20)26-24(21)22;8*1-2/h1-17H;8*1-2H3
InChIKeyHUBJFAKDPHAHOF-UHFFFAOYSA-N
MW575.97 g/mol
LogP15.27
Rot. Bonds3

About N,N-diphenyldibenzofuran-4-amine;ethane

N,N-diphenyldibenzofuran-4-amine;ethane (PubChem CID 158587957) has the molecular formula C40H65NO and a molecular weight of 575.97 g/mol. Its IUPAC name is N,N-diphenyldibenzofuran-4-amine;ethane.

Molecular Properties

Compound NameN,N-diphenyldibenzofuran-4-amine;ethane
PubChem CID158587957
Molecular FormulaC40H65NO
Molecular Weight575.97 g/mol
Exact Mass575.51
IUPAC NameN,N-diphenyldibenzofuran-4-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C24H17NO.8C2H6/c1-3-10-18(11-4-1)25(19-12-5-2-6-13-19)22-16-9-15-21-20-14-7-8-17-23(20)26-24(21)22;8*1-2/h1-17H;8*1-2H3
InChIKeyHUBJFAKDPHAHOF-UHFFFAOYSA-N
XLogP15.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.97
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
CID 155172997
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyldibenzofuran-4-amine;ethane?
The IUPAC name of N,N-diphenyldibenzofuran-4-amine;ethane (CID 158587957) is N,N-diphenyldibenzofuran-4-amine;ethane.
What is the SMILES notation for N,N-diphenyldibenzofuran-4-amine;ethane?
The canonical SMILES for N,N-diphenyldibenzofuran-4-amine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N,N-diphenyldibenzofuran-4-amine;ethane?
The InChIKey is HUBJFAKDPHAHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO.8C2H6/c1-3-10-18(11-4-1)25(19-12-5-2-6-13-19)22-16-9-15-21-20-14-7-8-17-23(20)26-24(21)22;8*1-2/h1-17H;8*1-2H3.
What are the key properties of N,N-diphenyldibenzofuran-4-amine;ethane?
N,N-diphenyldibenzofuran-4-amine;ethane has a molecular weight of 575.97 g/mol, XLogP of 15.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyldibenzofuran-4-amine;ethane is sourced from PubChem (CID 158587957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).