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

C32H24N2O2 — CID 10552238

IUPAC3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCc1ccc(C2=C3C(=C(c4ccc(C)cc4)C(=O)N3c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C32H24N2O2/c1-21-13-17-23(18-14-21)27-29-30(34(31(27)35)26-11-7-4-8-12-26)28(24-19-15-22(2)16-20-24)32(36)33(29)25-9-5-3-6-10-25/h3-20H,1-2H3
InChIKeyXSGYWVJODAHGSU-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.52
Rot. Bonds4

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

3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione (PubChem CID 10552238) has the molecular formula C32H24N2O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione
PubChem CID10552238
Molecular FormulaC32H24N2O2
Molecular Weight468.56 g/mol
Exact Mass468.18
IUPAC Name3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCc1ccc(C2=C3C(=C(c4ccc(C)cc4)C(=O)N3c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C32H24N2O2/c1-21-13-17-23(18-14-21)27-29-30(34(31(27)35)26-11-7-4-8-12-26)28(24-19-15-22(2)16-20-24)32(36)33(29)25-9-5-3-6-10-25/h3-20H,1-2H3
InChIKeyXSGYWVJODAHGSU-UHFFFAOYSA-N
XLogP6.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(2,3-dimethylphenyl)-3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573815
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
CID 15309240
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545764
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561546
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544646
4-(dimethylamino)-1,3-diphenylazet-2-one
CID 134873630
1-(2,4-dimethylphenyl)-3-phenyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110561821
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione?
The IUPAC name of 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione (CID 10552238) is 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione.
What is the SMILES notation for 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione?
The canonical SMILES for 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione is Cc1ccc(C2=C3C(=C(c4ccc(C)cc4)C(=O)N3c3ccccc3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione?
The InChIKey is XSGYWVJODAHGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2/c1-21-13-17-23(18-14-21)27-29-30(34(31(27)35)26-11-7-4-8-12-26)28(24-19-15-22(2)16-20-24)32(36)33(29)25-9-5-3-6-10-25/h3-20H,1-2H3.
What are the key properties of 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione?
3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione has a molecular weight of 468.56 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione is sourced from PubChem (CID 10552238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).