9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole

C63H42N4O — CID 136598017

About 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole

9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole (PubChem CID 136598017) has the molecular formula C63H42N4O and a molecular weight of 871.06 g/mol. Its IUPAC name is 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
• PubChem CID: 136598017
• Molecular Formula: C63H42N4O
• Molecular Weight: 871.06 g/mol
• Exact Mass: 870.34
• IUPAC Name: 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(C4N=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)N=C(c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5)N4)cc3)c2)cc1
• InChI: InChI=1S/C63H42N4O/c1-2-15-41(16-3-1)44-17-10-18-45(37-44)42-33-35-43(36-34-42)61-64-62(66-63(65-61)50-23-13-24-51(40-50)67-57-30-7-4-25-53(57)54-26-5-8-31-58(54)67)49-22-12-20-47(39-49)46-19-11-21-48(38-46)52-28-14-29-56-55-27-6-9-32-59(55)68-60(52)56/h1-40,61H,(H,64,65,66)
• InChIKey: RIVIPJJXWLFRKB-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.06
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole (CID 136598017) is 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3ccc(C4N=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)N=C(c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5)N4)cc3)c2)cc1.

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

The InChIKey is RIVIPJJXWLFRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4O/c1-2-15-41(16-3-1)44-17-10-18-45(37-44)42-33-35-43(36-34-42)61-64-62(66-63(65-61)50-23-13-24-51(40-50)67-57-30-7-4-25-53(57)54-26-5-8-31-58(54)67)49-22-12-20-47(39-49)46-19-11-21-48(38-46)52-28-14-29-56-55-27-6-9-32-59(55)68-60(52)56/h1-40,61H,(H,64,65,66).

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

9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole has a molecular weight of 871.06 g/mol, XLogP of 15.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole is sourced from PubChem (CID 136598017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).