N,9-diphenylthioxanthen-9-amine

C25H19NS — CID 12535324

IUPACN,9-diphenylthioxanthen-9-amine
SMILESc1ccc(NC2(c3ccccc3)c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C25H19NS/c1-3-11-19(12-4-1)25(26-20-13-5-2-6-14-20)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h1-18,26H
InChIKeyAOYRGZQCMXLLQN-UHFFFAOYSA-N
MW365.50 g/mol
LogP6.56
Rot. Bonds3

About N,9-diphenylthioxanthen-9-amine

N,9-diphenylthioxanthen-9-amine (PubChem CID 12535324) has the molecular formula C25H19NS and a molecular weight of 365.50 g/mol. Its IUPAC name is N,9-diphenylthioxanthen-9-amine.

Molecular Properties

Compound NameN,9-diphenylthioxanthen-9-amine
PubChem CID12535324
Molecular FormulaC25H19NS
Molecular Weight365.50 g/mol
Exact Mass365.12
IUPAC NameN,9-diphenylthioxanthen-9-amine
SMILESc1ccc(NC2(c3ccccc3)c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C25H19NS/c1-3-11-19(12-4-1)25(26-20-13-5-2-6-14-20)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h1-18,26H
InChIKeyAOYRGZQCMXLLQN-UHFFFAOYSA-N
XLogP6.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,9-diphenylthioxanthen-9-amine?
The IUPAC name of N,9-diphenylthioxanthen-9-amine (CID 12535324) is N,9-diphenylthioxanthen-9-amine.
What is the SMILES notation for N,9-diphenylthioxanthen-9-amine?
The canonical SMILES for N,9-diphenylthioxanthen-9-amine is c1ccc(NC2(c3ccccc3)c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N,9-diphenylthioxanthen-9-amine?
The InChIKey is AOYRGZQCMXLLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NS/c1-3-11-19(12-4-1)25(26-20-13-5-2-6-14-20)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)25/h1-18,26H.
What are the key properties of N,9-diphenylthioxanthen-9-amine?
N,9-diphenylthioxanthen-9-amine has a molecular weight of 365.50 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenylthioxanthen-9-amine is sourced from PubChem (CID 12535324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).