3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione

C34H28N2O2 — CID 15309240

IUPAC3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cc3ccccc3)=C3C2=C(Cc2ccccc2)C(=O)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C34H28N2O2/c1-23-13-17-27(18-14-23)35-31-29(21-25-9-5-3-6-10-25)34(38)36(28-19-15-24(2)16-20-28)32(31)30(33(35)37)22-26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3
InChIKeyFAJBLZKGEKPGAL-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.69
Rot. Bonds6

About 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione

3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione (PubChem CID 15309240) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
PubChem CID15309240
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cc3ccccc3)=C3C2=C(Cc2ccccc2)C(=O)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C34H28N2O2/c1-23-13-17-27(18-14-23)35-31-29(21-25-9-5-3-6-10-25)34(38)36(28-19-15-24(2)16-20-28)32(31)30(33(35)37)22-26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3
InChIKeyFAJBLZKGEKPGAL-UHFFFAOYSA-N
XLogP6.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione
CID 10552238
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
1-benzyl-4-methylbenzene;toluene
CID 144690555
3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione
CID 58230224
4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402
(3S)-3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 875245
3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2888961
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573373
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294

Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione?
The IUPAC name of 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione (CID 15309240) is 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione.
What is the SMILES notation for 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione?
The canonical SMILES for 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Cc3ccccc3)=C3C2=C(Cc2ccccc2)C(=O)N3c2ccc(C)cc2)cc1.
What is the InChIKey of 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione?
The InChIKey is FAJBLZKGEKPGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O2/c1-23-13-17-27(18-14-23)35-31-29(21-25-9-5-3-6-10-25)34(38)36(28-19-15-24(2)16-20-28)32(31)30(33(35)37)22-26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3.
What are the key properties of 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione?
3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione has a molecular weight of 496.61 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione is sourced from PubChem (CID 15309240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).