1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole

C27H24N6 — CID 118331748

IUPAC1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc(-n4nnc5ccccc54)cc3)N2)cc1
InChIInChI=1S/C27H24N6/c1-3-9-19(10-4-1)25-28-26(20-11-5-2-6-12-20)30-27(29-25)21-15-17-22(18-16-21)33-24-14-8-7-13-23(24)31-32-33/h1-18,25-30H
InChIKeyNVOIHKFQRKXHNC-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.60
Rot. Bonds4

About 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole

1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole (PubChem CID 118331748) has the molecular formula C27H24N6 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole.

Molecular Properties

Compound Name1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole
PubChem CID118331748
Molecular FormulaC27H24N6
Molecular Weight432.53 g/mol
Exact Mass432.21
IUPAC Name1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc(-n4nnc5ccccc54)cc3)N2)cc1
InChIInChI=1S/C27H24N6/c1-3-9-19(10-4-1)25-28-26(20-11-5-2-6-12-20)30-27(29-25)21-15-17-22(18-16-21)33-24-14-8-7-13-23(24)31-32-33/h1-18,25-30H
InChIKeyNVOIHKFQRKXHNC-UHFFFAOYSA-N
XLogP4.60
TPSA66.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-iodo-4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole
CID 118331810
1-[4-(benzenesulfonyl)phenyl]benzotriazole
CID 23907838
1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine
CID 134591552
[4-(benzotriazol-1-yl)phenyl]-cyclopropylmethanone
CID 155516115
1-(4-imidazol-1-ylphenyl)benzotriazole
CID 71124200
1-(4-isocyanatophenyl)benzotriazole
CID 169354613
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
1-(6-ethyl-3-pyridinyl)benzotriazole
CID 71251424
1,6-diphenylbenzotriazole
CID 162716973
2-[5-[4-(benzotriazol-1-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethylphenol
CID 139217779
2-amino-5-(benzotriazol-1-yl)benzonitrile
CID 113324056
1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 175194463

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole?
The IUPAC name of 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole (CID 118331748) is 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole.
What is the SMILES notation for 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole?
The canonical SMILES for 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole is c1ccc(C2NC(c3ccccc3)NC(c3ccc(-n4nnc5ccccc54)cc3)N2)cc1.
What is the InChIKey of 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole?
The InChIKey is NVOIHKFQRKXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6/c1-3-9-19(10-4-1)25-28-26(20-11-5-2-6-12-20)30-27(29-25)21-15-17-22(18-16-21)33-24-14-8-7-13-23(24)31-32-33/h1-18,25-30H.
What are the key properties of 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole?
1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole has a molecular weight of 432.53 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole is sourced from PubChem (CID 118331748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).