4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine

C35H28N8 — CID 90388781

IUPAC4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
SMILESNc1cccc(Nc2nc(Nc3cccc(N)c3)nc(N(c3cccc4ccccc34)c3cccc4ccccc34)n2)c1
InChIInChI=1S/C35H28N8/c36-25-13-7-15-27(21-25)38-33-40-34(39-28-16-8-14-26(37)22-28)42-35(41-33)43(31-19-5-11-23-9-1-3-17-29(23)31)32-20-6-12-24-10-2-4-18-30(24)32/h1-22H,36-37H2,(H2,38,39,40,41,42)
InChIKeyPMVMLJXKYNYFJJ-UHFFFAOYSA-N
MW560.67 g/mol
LogP8.30
Rot. Bonds7

About 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 90388781) has the molecular formula C35H28N8 and a molecular weight of 560.67 g/mol. Its IUPAC name is 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID90388781
Molecular FormulaC35H28N8
Molecular Weight560.67 g/mol
Exact Mass560.24
IUPAC Name4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
SMILESNc1cccc(Nc2nc(Nc3cccc(N)c3)nc(N(c3cccc4ccccc34)c3cccc4ccccc34)n2)c1
InChIInChI=1S/C35H28N8/c36-25-13-7-15-27(21-25)38-33-40-34(39-28-16-8-14-26(37)22-28)42-35(41-33)43(31-19-5-11-23-9-1-3-17-29(23)31)32-20-6-12-24-10-2-4-18-30(24)32/h1-22H,36-37H2,(H2,38,39,40,41,42)
InChIKeyPMVMLJXKYNYFJJ-UHFFFAOYSA-N
XLogP8.30
TPSA118.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.67
LogP ≤ 58.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine (CID 90388781) is 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine is Nc1cccc(Nc2nc(Nc3cccc(N)c3)nc(N(c3cccc4ccccc34)c3cccc4ccccc34)n2)c1.
What is the InChIKey of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PMVMLJXKYNYFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N8/c36-25-13-7-15-27(21-25)38-33-40-34(39-28-16-8-14-26(37)22-28)42-35(41-33)43(31-19-5-11-23-9-1-3-17-29(23)31)32-20-6-12-24-10-2-4-18-30(24)32/h1-22H,36-37H2,(H2,38,39,40,41,42).
What are the key properties of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 560.67 g/mol, XLogP of 8.30, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90388781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).