1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine

C96H69N7 — CID 159198241

IUPAC1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine
SMILESCc1cc2c3ccc(-c4ccccn4)cc3c3cc(C)c(C)cc3c2cc1C.Cn1cnc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1ccc2[nH]c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/C27H23N.C25H16N2.C23H15N.C21H15N3/c1-16-11-22-21-9-8-20(27-7-5-6-10-28-27)15-26(21)25-14-19(4)18(3)13-24(25)23(22)12-17(16)2;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(13-14-21(19)22)25-26-23-11-5-6-12-24(23)27-25;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23;1-24-13-22-21(23-24)14-10-11-19-17-8-3-2-6-15(17)16-7-4-5-9-18(16)20(19)12-14/h5-15H,1-4H3;1-15H,(H,26,27);1-15H;2-13H,1H3
InChIKeyKOYDYDUZEHFPOC-UHFFFAOYSA-N
MW1320.66 g/mol
LogP25.28
Rot. Bonds4

About 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine

1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine (PubChem CID 159198241) has the molecular formula C96H69N7 and a molecular weight of 1320.66 g/mol. Its IUPAC name is 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine.

Molecular Properties

Compound Name1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine
PubChem CID159198241
Molecular FormulaC96H69N7
Molecular Weight1320.66 g/mol
Exact Mass1319.56
IUPAC Name1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine
SMILESCc1cc2c3ccc(-c4ccccn4)cc3c3cc(C)c(C)cc3c2cc1C.Cn1cnc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1ccc2[nH]c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/C27H23N.C25H16N2.C23H15N.C21H15N3/c1-16-11-22-21-9-8-20(27-7-5-6-10-28-27)15-26(21)25-14-19(4)18(3)13-24(25)23(22)12-17(16)2;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(13-14-21(19)22)25-26-23-11-5-6-12-24(23)27-25;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23;1-24-13-22-21(23-24)14-10-11-19-17-8-3-2-6-15(17)16-7-4-5-9-18(16)20(19)12-14/h5-15H,1-4H3;1-15H,(H,26,27);1-15H;2-13H,1H3
InChIKeyKOYDYDUZEHFPOC-UHFFFAOYSA-N
XLogP25.28
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001320.66
LogP ≤ 525.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine?
The IUPAC name of 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine (CID 159198241) is 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine.
What is the SMILES notation for 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine?
The canonical SMILES for 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine is Cc1cc2c3ccc(-c4ccccn4)cc3c3cc(C)c(C)cc3c2cc1C.Cn1cnc(-c2ccc3c4ccccc4c4ccccc4c3c2)n1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1ccc2[nH]c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1.
What is the InChIKey of 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine?
The InChIKey is KOYDYDUZEHFPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N.C25H16N2.C23H15N.C21H15N3/c1-16-11-22-21-9-8-20(27-7-5-6-10-28-27)15-26(21)25-14-19(4)18(3)13-24(25)23(22)12-17(16)2;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(13-14-21(19)22)25-26-23-11-5-6-12-24(23)27-25;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23;1-24-13-22-21(23-24)14-10-11-19-17-8-3-2-6-15(17)16-7-4-5-9-18(16)20(19)12-14/h5-15H,1-4H3;1-15H,(H,26,27);1-15H;2-13H,1H3.
What are the key properties of 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine?
1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine has a molecular weight of 1320.66 g/mol, XLogP of 25.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-triphenylen-2-yl-1,2,4-triazole;2-(6,7,10,11-tetramethyltriphenylen-2-yl)pyridine;2-triphenylen-2-yl-1H-benzimidazole;2-triphenylen-2-ylpyridine is sourced from PubChem (CID 159198241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).