3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione

C34H32N2O2 — CID 143387465

IUPAC3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCC(C)(C)C1=C2C(=C(C(C)(C)C)C(=O)N2c2cccc3ccccc23)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C34H32N2O2/c1-33(2,3)27-29-30(36(31(27)37)26-20-12-16-22-14-8-10-18-24(22)26)28(34(4,5)6)32(38)35(29)25-19-11-15-21-13-7-9-17-23(21)25/h7-20H,1-6H3
InChIKeyKNIQGNUYHUKPKK-UHFFFAOYSA-N
MW500.64 g/mol
LogP7.99
Rot. Bonds2

About 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione

3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione (PubChem CID 143387465) has the molecular formula C34H32N2O2 and a molecular weight of 500.64 g/mol. Its IUPAC name is 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione
PubChem CID143387465
Molecular FormulaC34H32N2O2
Molecular Weight500.64 g/mol
Exact Mass500.25
IUPAC Name3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCC(C)(C)C1=C2C(=C(C(C)(C)C)C(=O)N2c2cccc3ccccc23)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C34H32N2O2/c1-33(2,3)27-29-30(36(31(27)37)26-20-12-16-22-14-8-10-18-24(22)26)28(34(4,5)6)32(38)35(29)25-19-11-15-21-13-7-9-17-23(21)25/h7-20H,1-6H3
InChIKeyKNIQGNUYHUKPKK-UHFFFAOYSA-N
XLogP7.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
(1S,8S,15R,19S)-4-tert-butyl-17-naphthalen-1-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
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3-chloro-4-(3,5-dimethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
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3-(4-methylphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
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CID 1016063
(3aR,5S,6S,7aR)-5,6-dibromo-2-naphthalen-1-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
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(1S,2S,6R,7R)-1,7-dimethyl-4-naphthalen-1-yl-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
The IUPAC name of 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione (CID 143387465) is 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione.
What is the SMILES notation for 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
The canonical SMILES for 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione is CC(C)(C)C1=C2C(=C(C(C)(C)C)C(=O)N2c2cccc3ccccc23)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
The InChIKey is KNIQGNUYHUKPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O2/c1-33(2,3)27-29-30(36(31(27)37)26-20-12-16-22-14-8-10-18-24(22)26)28(34(4,5)6)32(38)35(29)25-19-11-15-21-13-7-9-17-23(21)25/h7-20H,1-6H3.
What are the key properties of 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione has a molecular weight of 500.64 g/mol, XLogP of 7.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1,4-dinaphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione is sourced from PubChem (CID 143387465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).