N-phenyl-2-(9H-xanthen-9-yl)aniline

C25H19NO — CID 144844147

IUPACN-phenyl-2-(9H-xanthen-9-yl)aniline
SMILESc1ccc(Nc2ccccc2C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C25H19NO/c1-2-10-18(11-3-1)26-22-15-7-4-12-19(22)25-20-13-5-8-16-23(20)27-24-17-9-6-14-21(24)25/h1-17,25-26H
InChIKeySJEYNWILCLWBOF-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.72
Rot. Bonds3

About N-phenyl-2-(9H-xanthen-9-yl)aniline

N-phenyl-2-(9H-xanthen-9-yl)aniline (PubChem CID 144844147) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is N-phenyl-2-(9H-xanthen-9-yl)aniline.

Molecular Properties

Compound NameN-phenyl-2-(9H-xanthen-9-yl)aniline
PubChem CID144844147
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC NameN-phenyl-2-(9H-xanthen-9-yl)aniline
SMILESc1ccc(Nc2ccccc2C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C25H19NO/c1-2-10-18(11-3-1)26-22-15-7-4-12-19(22)25-20-13-5-8-16-23(20)27-24-17-9-6-14-21(24)25/h1-17,25-26H
InChIKeySJEYNWILCLWBOF-UHFFFAOYSA-N
XLogP6.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(9H-xanthen-9-yl)aniline?
The IUPAC name of N-phenyl-2-(9H-xanthen-9-yl)aniline (CID 144844147) is N-phenyl-2-(9H-xanthen-9-yl)aniline.
What is the SMILES notation for N-phenyl-2-(9H-xanthen-9-yl)aniline?
The canonical SMILES for N-phenyl-2-(9H-xanthen-9-yl)aniline is c1ccc(Nc2ccccc2C2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-phenyl-2-(9H-xanthen-9-yl)aniline?
The InChIKey is SJEYNWILCLWBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-2-10-18(11-3-1)26-22-15-7-4-12-19(22)25-20-13-5-8-16-23(20)27-24-17-9-6-14-21(24)25/h1-17,25-26H.
What are the key properties of N-phenyl-2-(9H-xanthen-9-yl)aniline?
N-phenyl-2-(9H-xanthen-9-yl)aniline has a molecular weight of 349.43 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(9H-xanthen-9-yl)aniline is sourced from PubChem (CID 144844147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).