4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C48H44N16 — CID 118574790

IUPAC4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESNc1ccc(Nc2nc(Nc3ccc(N)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1.Nc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(N)c3)n2)c1
InChIInChI=1S/C27H24N8.C21H20N8/c28-19-11-15-21(16-12-19)30-25-32-26(31-22-17-13-20(29)14-18-22)34-27(33-25)35(23-7-3-1-4-8-23)24-9-5-2-6-10-24;22-14-6-4-10-17(12-14)25-20-27-19(24-16-8-2-1-3-9-16)28-21(29-20)26-18-11-5-7-15(23)13-18/h1-18H,28-29H2,(H2,30,31,32,33,34);1-13H,22-23H2,(H3,24,25,26,27,28,29)
InChIKeyUDWQTCMKFIKFSB-UHFFFAOYSA-N
MW844.99 g/mol
LogP10.26
Rot. Bonds13

About 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 118574790) has the molecular formula C48H44N16 and a molecular weight of 844.99 g/mol. Its IUPAC name is 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID118574790
Molecular FormulaC48H44N16
Molecular Weight844.99 g/mol
Exact Mass844.39
IUPAC Name4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESNc1ccc(Nc2nc(Nc3ccc(N)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1.Nc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(N)c3)n2)c1
InChIInChI=1S/C27H24N8.C21H20N8/c28-19-11-15-21(16-12-19)30-25-32-26(31-22-17-13-20(29)14-18-22)34-27(33-25)35(23-7-3-1-4-8-23)24-9-5-2-6-10-24;22-14-6-4-10-17(12-14)25-20-27-19(24-16-8-2-1-3-9-16)28-21(29-20)26-18-11-5-7-15(23)13-18/h1-18H,28-29H2,(H2,30,31,32,33,34);1-13H,22-23H2,(H3,24,25,26,27,28,29)
InChIKeyUDWQTCMKFIKFSB-UHFFFAOYSA-N
XLogP10.26
TPSA244.81 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500844.99
LogP ≤ 510.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 118574790) is 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is Nc1ccc(Nc2nc(Nc3ccc(N)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1.Nc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(N)c3)n2)c1.
What is the InChIKey of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UDWQTCMKFIKFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8.C21H20N8/c28-19-11-15-21(16-12-19)30-25-32-26(31-22-17-13-20(29)14-18-22)34-27(33-25)35(23-7-3-1-4-8-23)24-9-5-2-6-10-24;22-14-6-4-10-17(12-14)25-20-27-19(24-16-8-2-1-3-9-16)28-21(29-20)26-18-11-5-7-15(23)13-18/h1-18H,28-29H2,(H2,30,31,32,33,34);1-13H,22-23H2,(H3,24,25,26,27,28,29).
What are the key properties of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 844.99 g/mol, XLogP of 10.26, 13 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 118574790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).