2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

C34H24N2O2 — CID 58273470

IUPAC2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCN1C(=O)C2=C(c3ccc(-c4ccccc4)c4ccccc34)N(C)C(=O)C2=C1c1cccc2ccccc12
InChIInChI=1S/C34H24N2O2/c1-35-31(27-18-10-14-22-13-6-7-15-23(22)27)29-30(34(35)38)32(36(2)33(29)37)28-20-19-24(21-11-4-3-5-12-21)25-16-8-9-17-26(25)28/h3-20H,1-2H3
InChIKeyNUZDQNZSKQEAON-UHFFFAOYSA-N
MW492.58 g/mol
LogP6.73
Rot. Bonds3

About 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 58273470) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID58273470
Molecular FormulaC34H24N2O2
Molecular Weight492.58 g/mol
Exact Mass492.18
IUPAC Name2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCN1C(=O)C2=C(c3ccc(-c4ccccc4)c4ccccc34)N(C)C(=O)C2=C1c1cccc2ccccc12
InChIInChI=1S/C34H24N2O2/c1-35-31(27-18-10-14-22-13-6-7-15-23(22)27)29-30(34(35)38)32(36(2)33(29)37)28-20-19-24(21-11-4-3-5-12-21)25-16-8-9-17-26(25)28/h3-20H,1-2H3
InChIKeyNUZDQNZSKQEAON-UHFFFAOYSA-N
XLogP6.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione (CID 58273470) is 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione is CN1C(=O)C2=C(c3ccc(-c4ccccc4)c4ccccc34)N(C)C(=O)C2=C1c1cccc2ccccc12.
What is the InChIKey of 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is NUZDQNZSKQEAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O2/c1-35-31(27-18-10-14-22-13-6-7-15-23(22)27)29-30(34(35)38)32(36(2)33(29)37)28-20-19-24(21-11-4-3-5-12-21)25-16-8-9-17-26(25)28/h3-20H,1-2H3.
What are the key properties of 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 492.58 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 58273470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).