ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline

C77H104N6O — CID 157138601

IUPACethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)cc1
InChIInChI=1S/C35H31N.C16H15N3.C10H10N2O.8C2H6/c1-24-10-16-29(17-11-24)36(28-8-6-5-7-9-28)30-18-13-26(14-19-30)27-15-21-32-31-20-12-25(2)22-33(31)35(3,4)34(32)23-27;1-12-8-10-14(11-9-12)16-18-17-13(2)19(16)15-6-4-3-5-7-15;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;8*1-2/h5-23H,1-4H3;3-11H,1-2H3;3-6H,1-2H3;8*1-2H3
InChIKeyAJXPNJZWSKKAHX-UHFFFAOYSA-N
MW1129.72 g/mol
LogP23.86
Rot. Bonds7

About ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline

ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline (PubChem CID 157138601) has the molecular formula C77H104N6O and a molecular weight of 1129.72 g/mol. Its IUPAC name is ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline.

Molecular Properties

Compound Nameethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
PubChem CID157138601
Molecular FormulaC77H104N6O
Molecular Weight1129.72 g/mol
Exact Mass1128.83
IUPAC Nameethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)cc1
InChIInChI=1S/C35H31N.C16H15N3.C10H10N2O.8C2H6/c1-24-10-16-29(17-11-24)36(28-8-6-5-7-9-28)30-18-13-26(14-19-30)27-15-21-32-31-20-12-25(2)22-33(31)35(3,4)34(32)23-27;1-12-8-10-14(11-9-12)16-18-17-13(2)19(16)15-6-4-3-5-7-15;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;8*1-2/h5-23H,1-4H3;3-11H,1-2H3;3-6H,1-2H3;8*1-2H3
InChIKeyAJXPNJZWSKKAHX-UHFFFAOYSA-N
XLogP23.86
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.72
LogP ≤ 523.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The IUPAC name of ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline (CID 157138601) is ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline.
What is the SMILES notation for ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The canonical SMILES for ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)cc1.
What is the InChIKey of ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
The InChIKey is AJXPNJZWSKKAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N.C16H15N3.C10H10N2O.8C2H6/c1-24-10-16-29(17-11-24)36(28-8-6-5-7-9-28)30-18-13-26(14-19-30)27-15-21-32-31-20-12-25(2)22-33(31)35(3,4)34(32)23-27;1-12-8-10-14(11-9-12)16-18-17-13(2)19(16)15-6-4-3-5-7-15;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;8*1-2/h5-23H,1-4H3;3-11H,1-2H3;3-6H,1-2H3;8*1-2H3.
What are the key properties of ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline?
ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline has a molecular weight of 1129.72 g/mol, XLogP of 23.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;4-methyl-N-phenyl-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline is sourced from PubChem (CID 157138601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).