9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole

C70H46N4O — CID 168837481

About 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole

9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole (PubChem CID 168837481) has the molecular formula C70H46N4O and a molecular weight of 959.17 g/mol. Its IUPAC name is 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
• PubChem CID: 168837481
• Molecular Formula: C70H46N4O
• Molecular Weight: 959.17 g/mol
• Exact Mass: 958.37
• IUPAC Name: 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
• SMILES: Cc1cccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5)c5oc6ccccc6c5c4)c3)c2)c1
• InChI: InChI=1S/C70H46N4O/c1-45-16-12-21-50(38-45)52-23-13-24-53(39-52)55-36-37-65-62(42-55)59-28-8-10-30-64(59)74(65)58-27-15-25-54(41-58)57-43-61(67-63(44-57)60-29-9-11-31-66(60)75-67)47-34-32-46(33-35-47)51-22-14-26-56(40-51)70-72-68(48-17-4-2-5-18-48)71-69(73-70)49-19-6-3-7-20-49/h2-44H,1H3
• InChIKey: RKBROANIOAYPQA-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.17
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole?

The IUPAC name of 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole (CID 168837481) is 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole.

What is the SMILES notation for 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole?

The canonical SMILES for 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole is Cc1cccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5)c5oc6ccccc6c5c4)c3)c2)c1.

What is the InChIKey of 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole?

The InChIKey is RKBROANIOAYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4O/c1-45-16-12-21-50(38-45)52-23-13-24-53(39-52)55-36-37-65-62(42-55)59-28-8-10-30-64(59)74(65)58-27-15-25-54(41-58)57-43-61(67-63(44-57)60-29-9-11-31-66(60)75-67)47-34-32-46(33-35-47)51-22-14-26-56(40-51)70-72-68(48-17-4-2-5-18-48)71-69(73-70)49-19-6-3-7-20-49/h2-44H,1H3.

What are the key properties of 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole?

9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole has a molecular weight of 959.17 g/mol, XLogP of 18.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 168837481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).