1-(10-phenylanthracen-9-yl)benzotriazole

C26H17N3 — CID 87098242

IUPAC1-(10-phenylanthracen-9-yl)benzotriazole
SMILESc1ccc(-c2c3ccccc3c(-n3nnc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C26H17N3/c1-2-10-18(11-3-1)25-19-12-4-6-14-21(19)26(22-15-7-5-13-20(22)25)29-24-17-9-8-16-23(24)27-28-29/h1-17H
InChIKeyWAWMDINWDANDIY-UHFFFAOYSA-N
MW371.44 g/mol
LogP6.39
Rot. Bonds2

About 1-(10-phenylanthracen-9-yl)benzotriazole

1-(10-phenylanthracen-9-yl)benzotriazole (PubChem CID 87098242) has the molecular formula C26H17N3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(10-phenylanthracen-9-yl)benzotriazole.

Molecular Properties

Compound Name1-(10-phenylanthracen-9-yl)benzotriazole
PubChem CID87098242
Molecular FormulaC26H17N3
Molecular Weight371.44 g/mol
Exact Mass371.14
IUPAC Name1-(10-phenylanthracen-9-yl)benzotriazole
SMILESc1ccc(-c2c3ccccc3c(-n3nnc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C26H17N3/c1-2-10-18(11-3-1)25-19-12-4-6-14-21(19)26(22-15-7-5-13-20(22)25)29-24-17-9-8-16-23(24)27-28-29/h1-17H
InChIKeyWAWMDINWDANDIY-UHFFFAOYSA-N
XLogP6.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(benzotriazol-1-yl)-2-phenylquinazoline
CID 2455828
2-(benzotriazol-1-yl)benzene-1,3-dicarboxylic acid
CID 67391160
2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole
CID 57191720
4-(benzotriazol-1-yl)-5,6-dimethylbenzene-1,2,3-triol
CID 167223019
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071527
CID 174119871
CID 174119871
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-2-phenylbenzimidazole
CID 169071962
1-[10-(3-phenylphenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169070200
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722

Frequently Asked Questions

What is the IUPAC name of 1-(10-phenylanthracen-9-yl)benzotriazole?
The IUPAC name of 1-(10-phenylanthracen-9-yl)benzotriazole (CID 87098242) is 1-(10-phenylanthracen-9-yl)benzotriazole.
What is the SMILES notation for 1-(10-phenylanthracen-9-yl)benzotriazole?
The canonical SMILES for 1-(10-phenylanthracen-9-yl)benzotriazole is c1ccc(-c2c3ccccc3c(-n3nnc4ccccc43)c3ccccc23)cc1.
What is the InChIKey of 1-(10-phenylanthracen-9-yl)benzotriazole?
The InChIKey is WAWMDINWDANDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3/c1-2-10-18(11-3-1)25-19-12-4-6-14-21(19)26(22-15-7-5-13-20(22)25)29-24-17-9-8-16-23(24)27-28-29/h1-17H.
What are the key properties of 1-(10-phenylanthracen-9-yl)benzotriazole?
1-(10-phenylanthracen-9-yl)benzotriazole has a molecular weight of 371.44 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-phenylanthracen-9-yl)benzotriazole is sourced from PubChem (CID 87098242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).