[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone

C36H29NO3 — CID 155547193

IUPAC[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
SMILESCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C36H29NO3/c1-39-31-22-18-29(19-23-31)36-34(32-14-8-9-15-33(32)40-36)35(38)28-16-20-30(21-17-28)37(24-26-10-4-2-5-11-26)25-27-12-6-3-7-13-27/h2-23H,24-25H2,1H3
InChIKeyCGLYNQHJAXXHAK-UHFFFAOYSA-N
MW523.63 g/mol
LogP8.55
Rot. Bonds9

About [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone

[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone (PubChem CID 155547193) has the molecular formula C36H29NO3 and a molecular weight of 523.63 g/mol. Its IUPAC name is [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone.

Molecular Properties

Compound Name[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
PubChem CID155547193
Molecular FormulaC36H29NO3
Molecular Weight523.63 g/mol
Exact Mass523.21
IUPAC Name[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
SMILESCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C36H29NO3/c1-39-31-22-18-29(19-23-31)36-34(32-14-8-9-15-33(32)40-36)35(38)28-16-20-30(21-17-28)37(24-26-10-4-2-5-11-26)25-27-12-6-3-7-13-27/h2-23H,24-25H2,1H3
InChIKeyCGLYNQHJAXXHAK-UHFFFAOYSA-N
XLogP8.55
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
[2-[4-[7-[benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-(4-phenylphenyl)methanone
CID 71455057
[2-[4-[7-[benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-[4-(2-chloroethoxy)phenyl]methanone
CID 71541366
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
[4-[3-(diethylamino)propoxy]phenyl]-[2-(4-propoxyphenyl)-1-benzofuran-3-yl]methanone
CID 21435375
[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone
CID 71769493
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
(4-chlorophenyl)-[2-[4-[3-(diethylamino)propoxy]phenyl]-1-benzofuran-3-yl]methanone
CID 21487900
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257

Frequently Asked Questions

What is the IUPAC name of [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone?
The IUPAC name of [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone (CID 155547193) is [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone.
What is the SMILES notation for [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone?
The canonical SMILES for [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone is COc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone?
The InChIKey is CGLYNQHJAXXHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29NO3/c1-39-31-22-18-29(19-23-31)36-34(32-14-8-9-15-33(32)40-36)35(38)28-16-20-30(21-17-28)37(24-26-10-4-2-5-11-26)25-27-12-6-3-7-13-27/h2-23H,24-25H2,1H3.
What are the key properties of [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone?
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone has a molecular weight of 523.63 g/mol, XLogP of 8.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone is sourced from PubChem (CID 155547193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).