(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole

C25H25NO3 — CID 53474782

IUPAC(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole
SMILESCOc1cc2c(c(OC)c1OC)[C@H]1[C@H](Cc3ccccc3)c3ccccc3N1C2
InChIInChI=1S/C25H25NO3/c1-27-21-14-17-15-26-20-12-8-7-11-18(20)19(13-16-9-5-4-6-10-16)23(26)22(17)25(29-3)24(21)28-2/h4-12,14,19,23H,13,15H2,1-3H3/t19-,23-/m1/s1
InChIKeyJFJMCMICYNFXNH-AUSIDOKSSA-N
MW387.48 g/mol
LogP5.11
Rot. Bonds5

About (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole

(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole (PubChem CID 53474782) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole.

Molecular Properties

Compound Name(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole
PubChem CID53474782
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole
SMILESCOc1cc2c(c(OC)c1OC)[C@H]1[C@H](Cc3ccccc3)c3ccccc3N1C2
InChIInChI=1S/C25H25NO3/c1-27-21-14-17-15-26-20-12-8-7-11-18(20)19(13-16-9-5-4-6-10-16)23(26)22(17)25(29-3)24(21)28-2/h4-12,14,19,23H,13,15H2,1-3H3/t19-,23-/m1/s1
InChIKeyJFJMCMICYNFXNH-AUSIDOKSSA-N
XLogP5.11
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole with MolForge

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Related Compounds

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methyl (4R,5R)-5-benzyl-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylate
CID 56850624
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CID 89298283
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
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CID 18464420
(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544375
benzyl 1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 122204910
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
[(4S)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
CID 102233510
[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole?
The IUPAC name of (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole (CID 53474782) is (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole.
What is the SMILES notation for (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole?
The canonical SMILES for (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole is COc1cc2c(c(OC)c1OC)[C@H]1[C@H](Cc3ccccc3)c3ccccc3N1C2.
What is the InChIKey of (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole?
The InChIKey is JFJMCMICYNFXNH-AUSIDOKSSA-N. The full InChI is InChI=1S/C25H25NO3/c1-27-21-14-17-15-26-20-12-8-7-11-18(20)19(13-16-9-5-4-6-10-16)23(26)22(17)25(29-3)24(21)28-2/h4-12,14,19,23H,13,15H2,1-3H3/t19-,23-/m1/s1.
What are the key properties of (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole?
(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole has a molecular weight of 387.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole is sourced from PubChem (CID 53474782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).