2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole

C131H87N11O5S — CID 159372469

About 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole (PubChem CID 159372469) has the molecular formula C131H87N11O5S and a molecular weight of 1933.31 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
• PubChem CID: 159372469
• Molecular Formula: C131H87N11O5S
• Molecular Weight: 1933.31 g/mol
• Exact Mass: 1931.70
• IUPAC Name: 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
• SMILES: Cc1cc(C)c(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)c(C)c1.[2H]C([2H])([2H])c1cc(C)cc(C([2H])([2H])[2H])c1-c1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1.c1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1
• InChI: InChI=1S/C49H29N5OS.2C41H29N3O2/c1-2-12-36(13-3-1)53-44-16-8-6-14-39(44)52-49(53)54-42-24-21-34(27-37(42)38-28-35(22-25-43(38)54)48-51-41-15-7-9-17-46(41)56-48)47-50-40-23-20-33(29-45(40)55-47)32-19-18-30-10-4-5-11-31(30)26-32;2*1-24-20-25(2)39(26(3)21-24)27-12-16-30(17-13-27)44-35-18-14-28(40-42-33-8-4-6-10-37(33)45-40)22-31(35)32-23-29(15-19-36(32)44)41-43-34-9-5-7-11-38(34)46-41/h1-29H;2*4-23H,1-3H3/i;2D3,3D3
• InChIKey: LJXIYNTYXHXKPP-HZLOXVKPSA-N
• XLogP: 35.01
• TPSA: 175.65 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1933.31
LogP ≤ 5	35.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole?

The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole (CID 159372469) is 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole.

What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole?

The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole is Cc1cc(C)c(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)c(C)c1.[2H]C([2H])([2H])c1cc(C)cc(C([2H])([2H])[2H])c1-c1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1.c1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1.

What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole?

The InChIKey is LJXIYNTYXHXKPP-HZLOXVKPSA-N. The full InChI is InChI=1S/C49H29N5OS.2C41H29N3O2/c1-2-12-36(13-3-1)53-44-16-8-6-14-39(44)52-49(53)54-42-24-21-34(27-37(42)38-28-35(22-25-43(38)54)48-51-41-15-7-9-17-46(41)56-48)47-50-40-23-20-33(29-45(40)55-47)32-19-18-30-10-4-5-11-31(30)26-32;2*1-24-20-25(2)39(26(3)21-24)27-12-16-30(17-13-27)44-35-18-14-28(40-42-33-8-4-6-10-37(33)45-40)22-31(35)32-23-29(15-19-36(32)44)41-43-34-9-5-7-11-38(34)46-41/h1-29H;2*4-23H,1-3H3/i;2D3,3D3;.

What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole?

2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 1933.31 g/mol, XLogP of 35.01, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 159372469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).