(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole

C20H20N2 — CID 134916558

IUPAC(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole
SMILESC[C@]12CC(c3ccccc3)=N[C@@]1(C)CC(c1ccccc1)=N2
InChIInChI=1S/C20H20N2/c1-19-13-17(15-9-5-3-6-10-15)22-20(19,2)14-18(21-19)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyVEJHGCUPYFGRDR-PMACEKPBSA-N
MW288.39 g/mol
LogP4.29
Rot. Bonds2

About (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole

(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole (PubChem CID 134916558) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole
PubChem CID134916558
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole
SMILESC[C@]12CC(c3ccccc3)=N[C@@]1(C)CC(c1ccccc1)=N2
InChIInChI=1S/C20H20N2/c1-19-13-17(15-9-5-3-6-10-15)22-20(19,2)14-18(21-19)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyVEJHGCUPYFGRDR-PMACEKPBSA-N
XLogP4.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90342014
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CID 174877368
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
The IUPAC name of (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole (CID 134916558) is (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole is C[C@]12CC(c3ccccc3)=N[C@@]1(C)CC(c1ccccc1)=N2.
What is the InChIKey of (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
The InChIKey is VEJHGCUPYFGRDR-PMACEKPBSA-N. The full InChI is InChI=1S/C20H20N2/c1-19-13-17(15-9-5-3-6-10-15)22-20(19,2)14-18(21-19)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole has a molecular weight of 288.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 134916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).