2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine

C30H29N6P — CID 5304179

IUPAC2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C30H29N6P/c1-35(2)29-31-28(32-30(33-29)36(3)24-16-8-4-9-17-24)34-37(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,1-3H3
InChIKeyLJSICVZDZYLPGE-UHFFFAOYSA-N
MW504.58 g/mol
LogP5.51
Rot. Bonds7

About 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine (PubChem CID 5304179) has the molecular formula C30H29N6P and a molecular weight of 504.58 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine
PubChem CID5304179
Molecular FormulaC30H29N6P
Molecular Weight504.58 g/mol
Exact Mass504.22
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C30H29N6P/c1-35(2)29-31-28(32-30(33-29)36(3)24-16-8-4-9-17-24)34-37(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,1-3H3
InChIKeyLJSICVZDZYLPGE-UHFFFAOYSA-N
XLogP5.51
TPSA57.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.58
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine (CID 5304179) is 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine?
The InChIKey is LJSICVZDZYLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N6P/c1-35(2)29-31-28(32-30(33-29)36(3)24-16-8-4-9-17-24)34-37(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,1-3H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine has a molecular weight of 504.58 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-phenyl-6-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5304179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).