6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine

C42H36N6O — CID 59609300

IUPAC6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(N(c2ccccc2)c2nc(N(c3ccccc3)c3cccc(C)c3)nc(N(c3ccccc3)c3cccc(C)c3)n2)c1
InChIInChI=1S/C42H36N6O/c1-31-16-13-24-36(28-31)46(33-18-7-4-8-19-33)40-43-41(47(34-20-9-5-10-21-34)37-25-14-17-32(2)29-37)45-42(44-40)48(35-22-11-6-12-23-35)38-26-15-27-39(30-38)49-3/h4-30H,1-3H3
InChIKeyFHYIZVDGNYEQTC-UHFFFAOYSA-N
MW640.79 g/mol
LogP10.91
Rot. Bonds10

About 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine

6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 59609300) has the molecular formula C42H36N6O and a molecular weight of 640.79 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID59609300
Molecular FormulaC42H36N6O
Molecular Weight640.79 g/mol
Exact Mass640.30
IUPAC Name6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(N(c2ccccc2)c2nc(N(c3ccccc3)c3cccc(C)c3)nc(N(c3ccccc3)c3cccc(C)c3)n2)c1
InChIInChI=1S/C42H36N6O/c1-31-16-13-24-36(28-31)46(33-18-7-4-8-19-33)40-43-41(47(34-20-9-5-10-21-34)37-25-14-17-32(2)29-37)45-42(44-40)48(35-22-11-6-12-23-35)38-26-15-27-39(30-38)49-3/h4-30H,1-3H3
InChIKeyFHYIZVDGNYEQTC-UHFFFAOYSA-N
XLogP10.91
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine (CID 59609300) is 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine is COc1cccc(N(c2ccccc2)c2nc(N(c3ccccc3)c3cccc(C)c3)nc(N(c3ccccc3)c3cccc(C)c3)n2)c1.
What is the InChIKey of 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FHYIZVDGNYEQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N6O/c1-31-16-13-24-36(28-31)46(33-18-7-4-8-19-33)40-43-41(47(34-20-9-5-10-21-34)37-25-14-17-32(2)29-37)45-42(44-40)48(35-22-11-6-12-23-35)38-26-15-27-39(30-38)49-3/h4-30H,1-3H3.
What are the key properties of 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 640.79 g/mol, XLogP of 10.91, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59609300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).