2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol

C48H43Cl2N3O2 — CID 135981482

About 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol

2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135981482) has the molecular formula C48H43Cl2N3O2 and a molecular weight of 764.80 g/mol. Its IUPAC name is 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

• Compound Name: 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
• PubChem CID: 135981482
• Molecular Formula: C48H43Cl2N3O2
• Molecular Weight: 764.80 g/mol
• Exact Mass: 763.27
• IUPAC Name: 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
• SMILES: CC(C)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C(C)C)ccc1n2-c1cc(C(C)(C)C)cc(-c2noc(-c3c(Cl)cccc3Cl)n2)c1O
• InChI: InChI=1S/C48H43Cl2N3O2/c1-27(2)32-13-8-10-15-34(32)29-19-21-41-36(23-29)37-24-30(35-16-11-9-14-33(35)28(3)4)20-22-42(37)53(41)43-26-31(48(5,6)7)25-38(45(43)54)46-51-47(55-52-46)44-39(49)17-12-18-40(44)50/h8-28,54H,1-7H3
• InChIKey: XRURTDFWEZFBKW-UHFFFAOYSA-N
• XLogP: 14.39
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.80
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?

The IUPAC name of 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 135981482) is 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

What is the SMILES notation for 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?

The canonical SMILES for 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol is CC(C)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C(C)C)ccc1n2-c1cc(C(C)(C)C)cc(-c2noc(-c3c(Cl)cccc3Cl)n2)c1O.

What is the InChIKey of 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?

The InChIKey is XRURTDFWEZFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43Cl2N3O2/c1-27(2)32-13-8-10-15-34(32)29-19-21-41-36(23-29)37-24-30(35-16-11-9-14-33(35)28(3)4)20-22-42(37)53(41)43-26-31(48(5,6)7)25-38(45(43)54)46-51-47(55-52-46)44-39(49)17-12-18-40(44)50/h8-28,54H,1-7H3.

What are the key properties of 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?

2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 764.80 g/mol, XLogP of 14.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-bis(2-propan-2-ylphenyl)carbazol-9-yl]-4-tert-butyl-6-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135981482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).