4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine

C28H26N5P — CID 118376488

IUPAC4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine
SMILESCN(C1=NC(N(C)c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1)c1ccccc1
InChIInChI=1S/C28H26N5P/c1-32(23-15-7-3-8-16-23)27-29-28(33(2)24-17-9-4-10-18-24)31-34(30-27,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyKXVASDAZAUMBJO-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.75
Rot. Bonds4

About 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine

4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine (PubChem CID 118376488) has the molecular formula C28H26N5P and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine
PubChem CID118376488
Molecular FormulaC28H26N5P
Molecular Weight463.53 g/mol
Exact Mass463.19
IUPAC Name4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine
SMILESCN(C1=NC(N(C)c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1)c1ccccc1
InChIInChI=1S/C28H26N5P/c1-32(23-15-7-3-8-16-23)27-29-28(33(2)24-17-9-4-10-18-24)31-34(30-27,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyKXVASDAZAUMBJO-UHFFFAOYSA-N
XLogP5.75
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine (CID 118376488) is 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine is CN(C1=NC(N(C)c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1)c1ccccc1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
The InChIKey is KXVASDAZAUMBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N5P/c1-32(23-15-7-3-8-16-23)27-29-28(33(2)24-17-9-4-10-18-24)31-34(30-27,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3.
What are the key properties of 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine?
4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine has a molecular weight of 463.53 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N,6-N,2,2-tetraphenyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine is sourced from PubChem (CID 118376488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).