2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole

C84H56N8OS3 — CID 118245953

About 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole

2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (PubChem CID 118245953) has the molecular formula C84H56N8OS3 and a molecular weight of 1289.63 g/mol. Its IUPAC name is 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
• PubChem CID: 118245953
• Molecular Formula: C84H56N8OS3
• Molecular Weight: 1289.63 g/mol
• Exact Mass: 1288.37
• IUPAC Name: 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
• SMILES: Cc1ccc(-c2cnc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-c7ncc(-c8ccccc8)n7C)c6)ccc4n5-c4cc(-c5ncc(-c6ccccc6)s5)c5oc6c(-c7ncc(-c8ccccc8)s7)cc(-c7ncc(-c8ccccc8)s7)cc6c5c4)c3)n2C)cc1
• InChI: InChI=1S/C84H56N8OS3/c1-51-30-32-53(33-31-51)74-47-86-81(91(74)3)62-29-17-27-58(39-62)60-35-37-72-66(41-60)65-40-59(57-26-16-28-61(38-57)80-85-46-73(90(80)2)52-18-8-4-9-19-52)34-36-71(65)92(72)64-44-68-67-42-63(82-87-48-75(94-82)54-20-10-5-11-21-54)43-69(83-88-49-76(95-83)55-22-12-6-13-23-55)78(67)93-79(68)70(45-64)84-89-50-77(96-84)56-24-14-7-15-25-56/h4-50H,1-3H3
• InChIKey: LIWJCSQTZJEJKA-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 92.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.63
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?

The IUPAC name of 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (CID 118245953) is 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole.

What is the SMILES notation for 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?

The canonical SMILES for 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole is Cc1ccc(-c2cnc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-c7ncc(-c8ccccc8)n7C)c6)ccc4n5-c4cc(-c5ncc(-c6ccccc6)s5)c5oc6c(-c7ncc(-c8ccccc8)s7)cc(-c7ncc(-c8ccccc8)s7)cc6c5c4)c3)n2C)cc1.

What is the InChIKey of 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?

The InChIKey is LIWJCSQTZJEJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N8OS3/c1-51-30-32-53(33-31-51)74-47-86-81(91(74)3)62-29-17-27-58(39-62)60-35-37-72-66(41-60)65-40-59(57-26-16-28-61(38-57)80-85-46-73(90(80)2)52-18-8-4-9-19-52)34-36-71(65)92(72)64-44-68-67-42-63(82-87-48-75(94-82)54-20-10-5-11-21-54)43-69(83-88-49-76(95-83)55-22-12-6-13-23-55)78(67)93-79(68)70(45-64)84-89-50-77(96-84)56-24-14-7-15-25-56/h4-50H,1-3H3.

What are the key properties of 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?

2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole has a molecular weight of 1289.63 g/mol, XLogP of 22.83, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[3-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 118245953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).