N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine

C30H29NO — CID 170392208

IUPACN-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine
SMILESCCc1cc(N(c2ccc(C)cc2CC)c2cccc3oc4ccccc4c23)ccc1C
InChIInChI=1S/C30H29NO/c1-5-22-19-24(16-15-21(22)4)31(26-17-14-20(3)18-23(26)6-2)27-11-9-13-29-30(27)25-10-7-8-12-28(25)32-29/h7-19H,5-6H2,1-4H3
InChIKeySWDVWXDJGGEHSB-UHFFFAOYSA-N
MW419.57 g/mol
LogP8.80
Rot. Bonds5

About N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine

N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine (PubChem CID 170392208) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine
PubChem CID170392208
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC NameN-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine
SMILESCCc1cc(N(c2ccc(C)cc2CC)c2cccc3oc4ccccc4c23)ccc1C
InChIInChI=1S/C30H29NO/c1-5-22-19-24(16-15-21(22)4)31(26-17-14-20(3)18-23(26)6-2)27-11-9-13-29-30(27)25-10-7-8-12-28(25)32-29/h7-19H,5-6H2,1-4H3
InChIKeySWDVWXDJGGEHSB-UHFFFAOYSA-N
XLogP8.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
CID 146214369
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164744427
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
CID 134561114
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235172
N-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-3-ethylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 145354827
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine (CID 170392208) is N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine is CCc1cc(N(c2ccc(C)cc2CC)c2cccc3oc4ccccc4c23)ccc1C.
What is the InChIKey of N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine?
The InChIKey is SWDVWXDJGGEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO/c1-5-22-19-24(16-15-21(22)4)31(26-17-14-20(3)18-23(26)6-2)27-11-9-13-29-30(27)25-10-7-8-12-28(25)32-29/h7-19H,5-6H2,1-4H3.
What are the key properties of N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine?
N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine has a molecular weight of 419.57 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methylphenyl)-N-(3-ethyl-4-methylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170392208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).