methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole

C76H64N12 — CID 160638950

IUPACmethane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole
SMILESC.Cc1ccc(-n2nc3c4ccccc4c4ccccc4c3n2)cc1.Cc1ccc(-n2nc3cc(C)c4cc5ccccc5cc4c3n2)cc1.Cc1ccc(-n2nc3cc(C)c4ccccc4c3n2)cc1.Cc1ccc(-n2nc3ccc(C)cc3n2)cc1
InChIInChI=1S/C22H17N3.C21H15N3.C18H15N3.C14H13N3.CH4/c1-14-7-9-18(10-8-14)25-23-21-11-15(2)19-12-16-5-3-4-6-17(16)13-20(19)22(21)24-25;1-14-10-12-15(13-11-14)24-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(20)23-24;1-12-7-9-14(10-8-12)21-19-17-11-13(2)15-5-3-4-6-16(15)18(17)20-21;1-10-3-6-12(7-4-10)17-15-13-8-5-11(2)9-14(13)16-17;/h3-13H,1-2H3;2-13H,1H3;3-11H,1-2H3;3-9H,1-2H3;1H4
InChIKeyRIXJLJXOLWUJDE-UHFFFAOYSA-N
MW1145.43 g/mol
LogP18.24
Rot. Bonds4

About methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole

methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole (PubChem CID 160638950) has the molecular formula C76H64N12 and a molecular weight of 1145.43 g/mol. Its IUPAC name is methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole.

Molecular Properties

Compound Namemethane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole
PubChem CID160638950
Molecular FormulaC76H64N12
Molecular Weight1145.43 g/mol
Exact Mass1144.54
IUPAC Namemethane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole
SMILESC.Cc1ccc(-n2nc3c4ccccc4c4ccccc4c3n2)cc1.Cc1ccc(-n2nc3cc(C)c4cc5ccccc5cc4c3n2)cc1.Cc1ccc(-n2nc3cc(C)c4ccccc4c3n2)cc1.Cc1ccc(-n2nc3ccc(C)cc3n2)cc1
InChIInChI=1S/C22H17N3.C21H15N3.C18H15N3.C14H13N3.CH4/c1-14-7-9-18(10-8-14)25-23-21-11-15(2)19-12-16-5-3-4-6-17(16)13-20(19)22(21)24-25;1-14-10-12-15(13-11-14)24-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(20)23-24;1-12-7-9-14(10-8-12)21-19-17-11-13(2)15-5-3-4-6-16(15)18(17)20-21;1-10-3-6-12(7-4-10)17-15-13-8-5-11(2)9-14(13)16-17;/h3-13H,1-2H3;2-13H,1H3;3-11H,1-2H3;3-9H,1-2H3;1H4
InChIKeyRIXJLJXOLWUJDE-UHFFFAOYSA-N
XLogP18.24
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001145.43
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole with MolForge

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Related Compounds

11-methylphenanthro[9,10-b]quinoline
CID 14913507
5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
5-(2-phenylbenzotriazol-5-yl)benzo[b]carbazole
CID 164740370
2-(4-methylphenyl)triazolo[4,5-c]isoquinolin-5-amine
CID 71575613
10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
CID 118429761
2-iodo-11-methylphenanthro[9,10-b]pyridine
CID 166789626
5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118629755
methyl 2-[2-[2-methoxysulfonyl-4-(5-methylbenzo[e]benzotriazol-2-yl)phenyl]ethenyl]-5-[[4-(7-sulfinooxybenzo[e]benzotriazol-2-yl)phenyl]diazenyl]benzenesulfonate
CID 88979573
5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole
CID 146647723
4-[(4-benzo[e]benzotriazol-2-ylphenyl)diazenyl]aniline
CID 59476147
10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine
CID 118429616
5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
CID 118631091

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole?
The IUPAC name of methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole (CID 160638950) is methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole.
What is the SMILES notation for methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole?
The canonical SMILES for methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole is C.Cc1ccc(-n2nc3c4ccccc4c4ccccc4c3n2)cc1.Cc1ccc(-n2nc3cc(C)c4cc5ccccc5cc4c3n2)cc1.Cc1ccc(-n2nc3cc(C)c4ccccc4c3n2)cc1.Cc1ccc(-n2nc3ccc(C)cc3n2)cc1.
What is the InChIKey of methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole?
The InChIKey is RIXJLJXOLWUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3.C21H15N3.C18H15N3.C14H13N3.CH4/c1-14-7-9-18(10-8-14)25-23-21-11-15(2)19-12-16-5-3-4-6-17(16)13-20(19)22(21)24-25;1-14-10-12-15(13-11-14)24-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(20)23-24;1-12-7-9-14(10-8-12)21-19-17-11-13(2)15-5-3-4-6-16(15)18(17)20-21;1-10-3-6-12(7-4-10)17-15-13-8-5-11(2)9-14(13)16-17;/h3-13H,1-2H3;2-13H,1H3;3-11H,1-2H3;3-9H,1-2H3;1H4.
What are the key properties of methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole?
methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole has a molecular weight of 1145.43 g/mol, XLogP of 18.24, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole is sourced from PubChem (CID 160638950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).