2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

C29H24F2N6O — CID 44528438

IUPAC2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESFc1cccc(Nc2nc(NCc3ccc(OCc4ccccc4)cc3)nc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C29H24F2N6O/c30-22-8-4-10-24(16-22)33-28-35-27(36-29(37-28)34-25-11-5-9-23(31)17-25)32-18-20-12-14-26(15-13-20)38-19-21-6-2-1-3-7-21/h1-17H,18-19H2,(H3,32,33,34,35,36,37)
InChIKeyJPQPZGZQSCLUFA-UHFFFAOYSA-N
MW510.55 g/mol
LogP6.83
Rot. Bonds10

About 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 44528438) has the molecular formula C29H24F2N6O and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID44528438
Molecular FormulaC29H24F2N6O
Molecular Weight510.55 g/mol
Exact Mass510.20
IUPAC Name2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESFc1cccc(Nc2nc(NCc3ccc(OCc4ccccc4)cc3)nc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C29H24F2N6O/c30-22-8-4-10-24(16-22)33-28-35-27(36-29(37-28)34-25-11-5-9-23(31)17-25)32-18-20-12-14-26(15-13-20)38-19-21-6-2-1-3-7-21/h1-17H,18-19H2,(H3,32,33,34,35,36,37)
InChIKeyJPQPZGZQSCLUFA-UHFFFAOYSA-N
XLogP6.83
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 56.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 44528438) is 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is Fc1cccc(Nc2nc(NCc3ccc(OCc4ccccc4)cc3)nc(Nc3cccc(F)c3)n2)c1.
What is the InChIKey of 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JPQPZGZQSCLUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N6O/c30-22-8-4-10-24(16-22)33-28-35-27(36-29(37-28)34-25-11-5-9-23(31)17-25)32-18-20-12-14-26(15-13-20)38-19-21-6-2-1-3-7-21/h1-17H,18-19H2,(H3,32,33,34,35,36,37).
What are the key properties of 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 510.55 g/mol, XLogP of 6.83, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-fluorophenyl)-6-N-[(4-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 44528438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).