1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO3 — CID 18852187

IUPAC1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C29H27NO3/c1-17-10-15-21(16-18(17)2)30-25(19-11-13-20(14-12-19)29(3,4)5)24-26(31)22-8-6-7-9-23(22)33-27(24)28(30)32/h6-16,25H,1-5H3
InChIKeyCATBOAHUGQFECJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP6.46
Rot. Bonds2

About 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852187) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852187
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C29H27NO3/c1-17-10-15-21(16-18(17)2)30-25(19-11-13-20(14-12-19)29(3,4)5)24-26(31)22-8-6-7-9-23(22)33-27(24)28(30)32/h6-16,25H,1-5H3
InChIKeyCATBOAHUGQFECJ-UHFFFAOYSA-N
XLogP6.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856545
2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852186
2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852366
1-(4-tert-butylphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856542
7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854447
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856474
1-(4-tert-butylphenyl)-2-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857546
7-bromo-2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854536
2-(3,4-dimethylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852598
2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852402
2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852760

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852187) is 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CATBOAHUGQFECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-17-10-15-21(16-18(17)2)30-25(19-11-13-20(14-12-19)29(3,4)5)24-26(31)22-8-6-7-9-23(22)33-27(24)28(30)32/h6-16,25H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 437.54 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).