N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine

C25H17NO3 — CID 155630972

IUPACN,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine
SMILESCc1ccc2c(N(c3coc4ccccc34)c3coc4ccccc34)coc2c1
InChIInChI=1S/C25H17NO3/c1-16-10-11-19-22(15-29-25(19)12-16)26(20-13-27-23-8-4-2-6-17(20)23)21-14-28-24-9-5-3-7-18(21)24/h2-15H,1H3
InChIKeyHNJRITWJNXOFBG-UHFFFAOYSA-N
MW379.42 g/mol
LogP7.70
Rot. Bonds3

About N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine

N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine (PubChem CID 155630972) has the molecular formula C25H17NO3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine
PubChem CID155630972
Molecular FormulaC25H17NO3
Molecular Weight379.42 g/mol
Exact Mass379.12
IUPAC NameN,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine
SMILESCc1ccc2c(N(c3coc4ccccc34)c3coc4ccccc34)coc2c1
InChIInChI=1S/C25H17NO3/c1-16-10-11-19-22(15-29-25(19)12-16)26(20-13-27-23-8-4-2-6-17(20)23)21-14-28-24-9-5-3-7-18(21)24/h2-15H,1H3
InChIKeyHNJRITWJNXOFBG-UHFFFAOYSA-N
XLogP7.70
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylxanthene-9-thione
CID 57266652
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 146642264
actinium;6-methyl-1-benzofuran-3-ol
CID 59083990
(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186
3-(4-methylphenyl)-1-benzofuran
CID 11160085
3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
CID 117040946
3-(2-chloro-5-methylphenyl)chromen-4-one
CID 141334254
4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041404
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
2,7-dimethyltriphenylene
CID 23261750

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine?
The IUPAC name of N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine (CID 155630972) is N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine.
What is the SMILES notation for N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine?
The canonical SMILES for N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine is Cc1ccc2c(N(c3coc4ccccc34)c3coc4ccccc34)coc2c1.
What is the InChIKey of N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine?
The InChIKey is HNJRITWJNXOFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3/c1-16-10-11-19-22(15-29-25(19)12-16)26(20-13-27-23-8-4-2-6-17(20)23)21-14-28-24-9-5-3-7-18(21)24/h2-15H,1H3.
What are the key properties of N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine?
N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine has a molecular weight of 379.42 g/mol, XLogP of 7.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine is sourced from PubChem (CID 155630972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).