N-benzyl-4-(9H-xanthen-9-yl)aniline

C26H21NO — CID 3095678

IUPACN-benzyl-4-(9H-xanthen-9-yl)aniline
SMILESc1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C26H21NO/c1-2-8-19(9-3-1)18-27-21-16-14-20(15-17-21)26-22-10-4-6-12-24(22)28-25-13-7-5-11-23(25)26/h1-17,26-27H,18H2
InChIKeyOQEWWRRSXONUPD-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.58
Rot. Bonds4

About N-benzyl-4-(9H-xanthen-9-yl)aniline

N-benzyl-4-(9H-xanthen-9-yl)aniline (PubChem CID 3095678) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is N-benzyl-4-(9H-xanthen-9-yl)aniline.

Molecular Properties

Compound NameN-benzyl-4-(9H-xanthen-9-yl)aniline
PubChem CID3095678
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC NameN-benzyl-4-(9H-xanthen-9-yl)aniline
SMILESc1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C26H21NO/c1-2-8-19(9-3-1)18-27-21-16-14-20(15-17-21)26-22-10-4-6-12-24(22)28-25-13-7-5-11-23(25)26/h1-17,26-27H,18H2
InChIKeyOQEWWRRSXONUPD-UHFFFAOYSA-N
XLogP6.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(9H-xanthen-9-yl)aniline?
The IUPAC name of N-benzyl-4-(9H-xanthen-9-yl)aniline (CID 3095678) is N-benzyl-4-(9H-xanthen-9-yl)aniline.
What is the SMILES notation for N-benzyl-4-(9H-xanthen-9-yl)aniline?
The canonical SMILES for N-benzyl-4-(9H-xanthen-9-yl)aniline is c1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of N-benzyl-4-(9H-xanthen-9-yl)aniline?
The InChIKey is OQEWWRRSXONUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-2-8-19(9-3-1)18-27-21-16-14-20(15-17-21)26-22-10-4-6-12-24(22)28-25-13-7-5-11-23(25)26/h1-17,26-27H,18H2.
What are the key properties of N-benzyl-4-(9H-xanthen-9-yl)aniline?
N-benzyl-4-(9H-xanthen-9-yl)aniline has a molecular weight of 363.46 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(9H-xanthen-9-yl)aniline is sourced from PubChem (CID 3095678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).