9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C86H85N7O — CID 91399752

IUPAC9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCCCc1cc(CCCc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc(CCCn2c3ccccc3c3ccccc32)c1.CCCCc1ccc2c(c1)c1cc(C)ccc1n2CCCc1ccc(-c2nc(-c3cccc(C)c3)nc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C43H42N4.C43H43N3O/c1-5-6-12-33-19-23-40-38(28-33)37-27-31(4)16-22-39(37)47(40)24-9-13-32-17-20-34(21-18-32)41-44-42(35-14-7-10-29(2)25-35)46-43(45-41)36-15-8-11-30(3)26-36;1-3-4-11-33-28-34(30-35(29-33)14-10-27-46-40-17-7-5-15-38(40)39-16-6-8-18-41(39)46)13-9-12-32-21-25-37(26-22-32)43-45-44-42(47-43)36-23-19-31(2)20-24-36/h7-8,10-11,14-23,25-28H,5-6,9,12-13,24H2,1-4H3;5-8,15-26,28-30H,3-4,9-14,27H2,1-2H3
InChIKeyJEOVUVCKQXZQIT-UHFFFAOYSA-N
MW1232.67 g/mol
LogP21.85
Rot. Bonds23

About 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 91399752) has the molecular formula C86H85N7O and a molecular weight of 1232.67 g/mol. Its IUPAC name is 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID91399752
Molecular FormulaC86H85N7O
Molecular Weight1232.67 g/mol
Exact Mass1231.68
IUPAC Name9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCCCc1cc(CCCc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc(CCCn2c3ccccc3c3ccccc32)c1.CCCCc1ccc2c(c1)c1cc(C)ccc1n2CCCc1ccc(-c2nc(-c3cccc(C)c3)nc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C43H42N4.C43H43N3O/c1-5-6-12-33-19-23-40-38(28-33)37-27-31(4)16-22-39(37)47(40)24-9-13-32-17-20-34(21-18-32)41-44-42(35-14-7-10-29(2)25-35)46-43(45-41)36-15-8-11-30(3)26-36;1-3-4-11-33-28-34(30-35(29-33)14-10-27-46-40-17-7-5-15-38(40)39-16-6-8-18-41(39)46)13-9-12-32-21-25-37(26-22-32)43-45-44-42(47-43)36-23-19-31(2)20-24-36/h7-8,10-11,14-23,25-28H,5-6,9,12-13,24H2,1-4H3;5-8,15-26,28-30H,3-4,9-14,27H2,1-2H3
InChIKeyJEOVUVCKQXZQIT-UHFFFAOYSA-N
XLogP21.85
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001232.67
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole 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

2-[9-[3-(4,6-Diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 62707567
9-{4-[5-(4-t-Butylphenyl)-[1,3,4] oxadiazol-2-yl]-benzyl}-9h-carbazole
CID 101416588
2-[4-[2-[2-[4-[3-Butan-2-yl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 162587113
2-(1-Methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole
CID 164946291
US11780845, Example 1123
CID 155309399
1-(4-(5-(4-t-Butylphenyl)-1,3,4-oxadiazol-2-yl)benzyl)-2-(pyridin-2-yl)benzimidazole
CID 16104154
2-Phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 90841212
2,5-Bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole
CID 102232238
1-(9-Ethyl-9h-carbazol-3-yl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propane-1,3-dione
CID 129744784
2,5-Bis[2-methyl-4-(9-methylcarbazol-3-yl)phenyl]-1,3,4-oxadiazole
CID 139237924
2,5-Bis[4-(9-ethylcarbazol-3-yl)-2-methylphenyl]-1,3,4-oxadiazole
CID 139237925
2,5-Bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
CID 139237926

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 91399752) is 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is CCCCc1cc(CCCc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc(CCCn2c3ccccc3c3ccccc32)c1.CCCCc1ccc2c(c1)c1cc(C)ccc1n2CCCc1ccc(-c2nc(-c3cccc(C)c3)nc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is JEOVUVCKQXZQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4.C43H43N3O/c1-5-6-12-33-19-23-40-38(28-33)37-27-31(4)16-22-39(37)47(40)24-9-13-32-17-20-34(21-18-32)41-44-42(35-14-7-10-29(2)25-35)46-43(45-41)36-15-8-11-30(3)26-36;1-3-4-11-33-28-34(30-35(29-33)14-10-27-46-40-17-7-5-15-38(40)39-16-6-8-18-41(39)46)13-9-12-32-21-25-37(26-22-32)43-45-44-42(47-43)36-23-19-31(2)20-24-36/h7-8,10-11,14-23,25-28H,5-6,9,12-13,24H2,1-4H3;5-8,15-26,28-30H,3-4,9-14,27H2,1-2H3.
What are the key properties of 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 1232.67 g/mol, XLogP of 21.85, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 91399752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).