4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine

C27H18ClN5O — CID 137373889

IUPAC4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESClc1nc(N(c2ccccc2)c2ccccc2)nc(N2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C27H18ClN5O/c28-25-29-26(32(19-11-3-1-4-12-19)20-13-5-2-6-14-20)31-27(30-25)33-21-15-7-9-17-23(21)34-24-18-10-8-16-22(24)33/h1-18H
InChIKeyCPTHSRLMKAPLKF-UHFFFAOYSA-N
MW463.93 g/mol
LogP7.57
Rot. Bonds4

About 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine

4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine (PubChem CID 137373889) has the molecular formula C27H18ClN5O and a molecular weight of 463.93 g/mol. Its IUPAC name is 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine
PubChem CID137373889
Molecular FormulaC27H18ClN5O
Molecular Weight463.93 g/mol
Exact Mass463.12
IUPAC Name4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESClc1nc(N(c2ccccc2)c2ccccc2)nc(N2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C27H18ClN5O/c28-25-29-26(32(19-11-3-1-4-12-19)20-13-5-2-6-14-20)31-27(30-25)33-21-15-7-9-17-23(21)34-24-18-10-8-16-22(24)33/h1-18H
InChIKeyCPTHSRLMKAPLKF-UHFFFAOYSA-N
XLogP7.57
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine (CID 137373889) is 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine is Clc1nc(N(c2ccccc2)c2ccccc2)nc(N2c3ccccc3Oc3ccccc32)n1.
What is the InChIKey of 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is CPTHSRLMKAPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN5O/c28-25-29-26(32(19-11-3-1-4-12-19)20-13-5-2-6-14-20)31-27(30-25)33-21-15-7-9-17-23(21)34-24-18-10-8-16-22(24)33/h1-18H.
What are the key properties of 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 463.93 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 137373889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).