11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione

C26H17NO2 — CID 142661491

IUPAC11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione
SMILESO=C1c2ccc(-c3ccc(Nc4ccccc4)cc3)c(c2)C(=O)c2ccccc21
InChIInChI=1S/C26H17NO2/c28-25-18-12-15-21(24(16-18)26(29)23-9-5-4-8-22(23)25)17-10-13-20(14-11-17)27-19-6-2-1-3-7-19/h1-16,27H
InChIKeyFZSFNDKCSPSFIQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.87
Rot. Bonds3

About 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione

11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione (PubChem CID 142661491) has the molecular formula C26H17NO2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione.

Molecular Properties

Compound Name11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione
PubChem CID142661491
Molecular FormulaC26H17NO2
Molecular Weight375.43 g/mol
Exact Mass375.13
IUPAC Name11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione
SMILESO=C1c2ccc(-c3ccc(Nc4ccccc4)cc3)c(c2)C(=O)c2ccccc21
InChIInChI=1S/C26H17NO2/c28-25-18-12-15-21(24(16-18)26(29)23-9-5-4-8-22(23)25)17-10-13-20(14-11-17)27-19-6-2-1-3-7-19/h1-16,27H
InChIKeyFZSFNDKCSPSFIQ-UHFFFAOYSA-N
XLogP5.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione?
The IUPAC name of 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione (CID 142661491) is 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione.
What is the SMILES notation for 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione?
The canonical SMILES for 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione is O=C1c2ccc(-c3ccc(Nc4ccccc4)cc3)c(c2)C(=O)c2ccccc21.
What is the InChIKey of 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione?
The InChIKey is FZSFNDKCSPSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO2/c28-25-18-12-15-21(24(16-18)26(29)23-9-5-4-8-22(23)25)17-10-13-20(14-11-17)27-19-6-2-1-3-7-19/h1-16,27H.
What are the key properties of 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione?
11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione has a molecular weight of 375.43 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione is sourced from PubChem (CID 142661491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).