4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine

C27H18N10 — CID 1014695

IUPAC4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(-n3nnc4ccccc43)nc(-n3nnc4ccccc43)n2)cc1
InChIInChI=1S/C27H18N10/c1-3-11-19(12-4-1)35(20-13-5-2-6-14-20)25-28-26(36-23-17-9-7-15-21(23)31-33-36)30-27(29-25)37-24-18-10-8-16-22(24)32-34-37/h1-18H
InChIKeyJWTCVILNPNMFMK-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.81
Rot. Bonds5

About 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine

4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine (PubChem CID 1014695) has the molecular formula C27H18N10 and a molecular weight of 482.51 g/mol. Its IUPAC name is 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
PubChem CID1014695
Molecular FormulaC27H18N10
Molecular Weight482.51 g/mol
Exact Mass482.17
IUPAC Name4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(-n3nnc4ccccc43)nc(-n3nnc4ccccc43)n2)cc1
InChIInChI=1S/C27H18N10/c1-3-11-19(12-4-1)35(20-13-5-2-6-14-20)25-28-26(36-23-17-9-7-15-21(23)31-33-36)30-27(29-25)37-24-18-10-8-16-22(24)32-34-37/h1-18H
InChIKeyJWTCVILNPNMFMK-UHFFFAOYSA-N
XLogP4.81
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325
6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80840784
4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80853407
4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854027
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
2-(benzotriazol-1-yl)benzene-1,3-dicarboxylic acid
CID 67391160
5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid
CID 114090505
1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425
N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901279
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine (CID 1014695) is 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine is c1ccc(N(c2ccccc2)c2nc(-n3nnc4ccccc43)nc(-n3nnc4ccccc43)n2)cc1.
What is the InChIKey of 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is JWTCVILNPNMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N10/c1-3-11-19(12-4-1)35(20-13-5-2-6-14-20)25-28-26(36-23-17-9-7-15-21(23)31-33-36)30-27(29-25)37-24-18-10-8-16-22(24)32-34-37/h1-18H.
What are the key properties of 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 482.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1014695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).