6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H29NO4 — CID 18857022

IUPAC6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1
InChIInChI=1S/C30H29NO4/c1-4-5-9-15-34-23-14-10-11-21(18-23)27-26-28(32)24-16-19(2)20(3)17-25(24)35-29(26)30(33)31(27)22-12-7-6-8-13-22/h6-8,10-14,16-18,27H,4-5,9,15H2,1-3H3
InChIKeyZSZJILCQQXOPGL-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.73
Rot. Bonds7

About 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857022) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857022
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1
InChIInChI=1S/C30H29NO4/c1-4-5-9-15-34-23-14-10-11-21(18-23)27-26-28(32)24-16-19(2)20(3)17-25(24)35-29(26)30(33)31(27)22-12-7-6-8-13-22/h6-8,10-14,16-18,27H,4-5,9,15H2,1-3H3
InChIKeyZSZJILCQQXOPGL-UHFFFAOYSA-N
XLogP6.73
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-6,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857028
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856983
1-(3-butoxyphenyl)-2-(4-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856977
1-(3-butoxyphenyl)-7-methyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857968
1-(3-butoxyphenyl)-6,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856975
6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856951
1-(3-butoxyphenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819827
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856685
6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706800
2-(4-bromophenyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852669
1-(4-butoxy-3-ethoxyphenyl)-6,7-dimethyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857130
2-(3-chloro-4-methylphenyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852676

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857022) is 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1.
What is the InChIKey of 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZSZJILCQQXOPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-4-5-9-15-34-23-14-10-11-21(18-23)27-26-28(32)24-16-19(2)20(3)17-25(24)35-29(26)30(33)31(27)22-12-7-6-8-13-22/h6-8,10-14,16-18,27H,4-5,9,15H2,1-3H3.
What are the key properties of 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 467.57 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).