lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H24LiNO6 — CID 142051549

IUPAClithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2[n-]c3cc(OC)ccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.[Li+]
InChIInChI=1S/C26H25NO6.Li/c1-29-17-8-6-15(7-9-17)24-23(19-11-10-18(30-2)14-20(19)27-24)25(28)16-12-21(31-3)26(33-5)22(13-16)32-4;/h6-14H,1-5H3,(H,27,28);/q;+1/p-1
InChIKeyAPAJMTIFBABSBX-UHFFFAOYSA-M
MW453.42 g/mol
LogP1.74
Rot. Bonds8

About lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone

lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 142051549) has the molecular formula C26H24LiNO6 and a molecular weight of 453.42 g/mol. Its IUPAC name is lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namelithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID142051549
Molecular FormulaC26H24LiNO6
Molecular Weight453.42 g/mol
Exact Mass453.18
IUPAC Namelithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2[n-]c3cc(OC)ccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.[Li+]
InChIInChI=1S/C26H25NO6.Li/c1-29-17-8-6-15(7-9-17)24-23(19-11-10-18(30-2)14-20(19)27-24)25(28)16-12-21(31-3)26(33-5)22(13-16)32-4;/h6-14H,1-5H3,(H,27,28);/q;+1/p-1
InChIKeyAPAJMTIFBABSBX-UHFFFAOYSA-M
XLogP1.74
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755479
(4-ethoxy-3,5-dimethoxyphenyl)-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 18318589
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708645
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397
[2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 18188357
(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10043693
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45271275

Frequently Asked Questions

What is the IUPAC name of lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 142051549) is lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2[n-]c3cc(OC)ccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.[Li+].
What is the InChIKey of lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is APAJMTIFBABSBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H25NO6.Li/c1-29-17-8-6-15(7-9-17)24-23(19-11-10-18(30-2)14-20(19)27-24)25(28)16-12-21(31-3)26(33-5)22(13-16)32-4;/h6-14H,1-5H3,(H,27,28);/q;+1/p-1.
What are the key properties of lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 453.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 142051549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).