N-(4-anilinophenyl)-9H-xanthene-9-carboxamide

C26H20N2O2 — CID 4104080

IUPACN-(4-anilinophenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H20N2O2/c29-26(28-20-16-14-19(15-17-20)27-18-8-2-1-3-9-18)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-17,25,27H,(H,28,29)
InChIKeyIKCQFMZETOIWQO-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.31
Rot. Bonds4

About N-(4-anilinophenyl)-9H-xanthene-9-carboxamide

N-(4-anilinophenyl)-9H-xanthene-9-carboxamide (PubChem CID 4104080) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-anilinophenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-9H-xanthene-9-carboxamide
PubChem CID4104080
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC NameN-(4-anilinophenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H20N2O2/c29-26(28-20-16-14-19(15-17-20)27-18-8-2-1-3-9-18)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-17,25,27H,(H,28,29)
InChIKeyIKCQFMZETOIWQO-UHFFFAOYSA-N
XLogP6.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-9H-xanthene-9-carboxamide (CID 4104080) is N-(4-anilinophenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-9H-xanthene-9-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(4-anilinophenyl)-9H-xanthene-9-carboxamide?
The InChIKey is IKCQFMZETOIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-26(28-20-16-14-19(15-17-20)27-18-8-2-1-3-9-18)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-17,25,27H,(H,28,29).
What are the key properties of N-(4-anilinophenyl)-9H-xanthene-9-carboxamide?
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 4104080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).