1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H28FNO3 — CID 18890755

IUPAC1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccc(F)cc1)C3c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C30H28FNO3/c1-17-14-18(2)24-23(15-17)35-28-25(27(24)33)26(20-8-10-21(11-9-20)30(3,4)5)32(29(28)34)16-19-6-12-22(31)13-7-19/h6-15,26H,16H2,1-5H3
InChIKeyVZMVRTSNRZAMKJ-UHFFFAOYSA-N
MW469.56 g/mol
LogP6.59
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890755) has the molecular formula C30H28FNO3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890755
Molecular FormulaC30H28FNO3
Molecular Weight469.56 g/mol
Exact Mass469.21
IUPAC Name1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccc(F)cc1)C3c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C30H28FNO3/c1-17-14-18(2)24-23(15-17)35-28-25(27(24)33)26(20-8-10-21(11-9-20)30(3,4)5)32(29(28)34)16-19-6-12-22(31)13-7-19/h6-15,26H,16H2,1-5H3
InChIKeyVZMVRTSNRZAMKJ-UHFFFAOYSA-N
XLogP6.59
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890755) is 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccc(F)cc1)C3c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VZMVRTSNRZAMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FNO3/c1-17-14-18(2)24-23(15-17)35-28-25(27(24)33)26(20-8-10-21(11-9-20)30(3,4)5)32(29(28)34)16-19-6-12-22(31)13-7-19/h6-15,26H,16H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 469.56 g/mol, XLogP of 6.59, 3 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-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).