3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine

C40H34N2O3 — CID 59103427

IUPAC3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine
SMILESCCOc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc(OCC)cc4)ccc23)cc1
InChIInChI=1S/C40H34N2O3/c1-3-43-35-21-15-31(16-22-35)41(29-11-7-5-8-12-29)33-19-25-37-38-26-20-34(28-40(38)45-39(37)27-33)42(30-13-9-6-10-14-30)32-17-23-36(24-18-32)44-4-2/h5-28H,3-4H2,1-2H3
InChIKeyWMFVXPFUAZDXFI-UHFFFAOYSA-N
MW590.72 g/mol
LogP11.32
Rot. Bonds10

About 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine

3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine (PubChem CID 59103427) has the molecular formula C40H34N2O3 and a molecular weight of 590.72 g/mol. Its IUPAC name is 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine
PubChem CID59103427
Molecular FormulaC40H34N2O3
Molecular Weight590.72 g/mol
Exact Mass590.26
IUPAC Name3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine
SMILESCCOc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc(OCC)cc4)ccc23)cc1
InChIInChI=1S/C40H34N2O3/c1-3-43-35-21-15-31(16-22-35)41(29-11-7-5-8-12-29)33-19-25-37-38-26-20-34(28-40(38)45-39(37)27-33)42(30-13-9-6-10-14-30)32-17-23-36(24-18-32)44-4-2/h5-28H,3-4H2,1-2H3
InChIKeyWMFVXPFUAZDXFI-UHFFFAOYSA-N
XLogP11.32
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
CID 170675719
CID 170675719
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
CID 168810641
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
CID 164813150
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591
N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
CID 11984452
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine?
The IUPAC name of 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine (CID 59103427) is 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine?
The canonical SMILES for 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine is CCOc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc(OCC)cc4)ccc23)cc1.
What is the InChIKey of 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine?
The InChIKey is WMFVXPFUAZDXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2O3/c1-3-43-35-21-15-31(16-22-35)41(29-11-7-5-8-12-29)33-19-25-37-38-26-20-34(28-40(38)45-39(37)27-33)42(30-13-9-6-10-14-30)32-17-23-36(24-18-32)44-4-2/h5-28H,3-4H2,1-2H3.
What are the key properties of 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine?
3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine has a molecular weight of 590.72 g/mol, XLogP of 11.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine is sourced from PubChem (CID 59103427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).