1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

C34H29NO4 — CID 162011273

IUPAC1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESCc1ccc(CC(=O)c2ccc(CN3C(=O)C4(COc5cc6c(cc54)CCO6)c4ccccc43)cc2)c(C)c1
InChIInChI=1S/C34H29NO4/c1-21-7-10-25(22(2)15-21)17-30(36)24-11-8-23(9-12-24)19-35-29-6-4-3-5-27(29)34(33(35)37)20-39-32-18-31-26(13-14-38-31)16-28(32)34/h3-12,15-16,18H,13-14,17,19-20H2,1-2H3
InChIKeyYTMVJMSKIFFEMV-UHFFFAOYSA-N
MW515.61 g/mol
LogP5.89
Rot. Bonds5

About 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 162011273) has the molecular formula C34H29NO4 and a molecular weight of 515.61 g/mol. Its IUPAC name is 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID162011273
Molecular FormulaC34H29NO4
Molecular Weight515.61 g/mol
Exact Mass515.21
IUPAC Name1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESCc1ccc(CC(=O)c2ccc(CN3C(=O)C4(COc5cc6c(cc54)CCO6)c4ccccc43)cc2)c(C)c1
InChIInChI=1S/C34H29NO4/c1-21-7-10-25(22(2)15-21)17-30(36)24-11-8-23(9-12-24)19-35-29-6-4-3-5-27(29)34(33(35)37)20-39-32-18-31-26(13-14-38-31)16-28(32)34/h3-12,15-16,18H,13-14,17,19-20H2,1-2H3
InChIKeyYTMVJMSKIFFEMV-UHFFFAOYSA-N
XLogP5.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 153004893
N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide
CID 59352733
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
2-[3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]phenoxy]acetyl chloride
CID 87100165
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide
CID 59352124
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
2-[3-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)propyl]isoindole-1,3-dione
CID 59352544
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
CID 71036067
1'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352407
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[2,3-f][1,2]benzoxazole-7,3'-indole]-2'-one
CID 71036085

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (CID 162011273) is 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is Cc1ccc(CC(=O)c2ccc(CN3C(=O)C4(COc5cc6c(cc54)CCO6)c4ccccc43)cc2)c(C)c1.
What is the InChIKey of 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is YTMVJMSKIFFEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO4/c1-21-7-10-25(22(2)15-21)17-30(36)24-11-8-23(9-12-24)19-35-29-6-4-3-5-27(29)34(33(35)37)20-39-32-18-31-26(13-14-38-31)16-28(32)34/h3-12,15-16,18H,13-14,17,19-20H2,1-2H3.
What are the key properties of 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 515.61 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 162011273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).