6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine

C31H28N6O — CID 10074710

IUPAC6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(-c2ccc(Nc3nc(Nc4ccc(-c5ccccc5)cc4)nc(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C31H28N6O/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)32-29-34-30(36-31(35-29)37-19-21-38-22-20-37)33-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-18H,19-22H2,(H2,32,33,34,35,36)
InChIKeyJTHLOWYUBJUBQK-UHFFFAOYSA-N
MW500.61 g/mol
LogP6.53
Rot. Bonds7

About 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10074710) has the molecular formula C31H28N6O and a molecular weight of 500.61 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10074710
Molecular FormulaC31H28N6O
Molecular Weight500.61 g/mol
Exact Mass500.23
IUPAC Name6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(-c2ccc(Nc3nc(Nc4ccc(-c5ccccc5)cc4)nc(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C31H28N6O/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)32-29-34-30(36-31(35-29)37-19-21-38-22-20-37)33-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-18H,19-22H2,(H2,32,33,34,35,36)
InChIKeyJTHLOWYUBJUBQK-UHFFFAOYSA-N
XLogP6.53
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine (CID 10074710) is 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine is c1ccc(-c2ccc(Nc3nc(Nc4ccc(-c5ccccc5)cc4)nc(N4CCOCC4)n3)cc2)cc1.
What is the InChIKey of 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JTHLOWYUBJUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)32-29-34-30(36-31(35-29)37-19-21-38-22-20-37)33-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-18H,19-22H2,(H2,32,33,34,35,36).
What are the key properties of 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 500.61 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10074710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).