1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole

C63H38N4O2 — CID 157480548

About 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole

1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole (PubChem CID 157480548) has the molecular formula C63H38N4O2 and a molecular weight of 883.02 g/mol. Its IUPAC name is 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
• PubChem CID: 157480548
• Molecular Formula: C63H38N4O2
• Molecular Weight: 883.02 g/mol
• Exact Mass: 882.30
• IUPAC Name: 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6oc7cc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)ccc7c6c5)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C63H38N4O2/c1-3-13-42(14-4-1)61-64-62(66-63(65-61)53-22-12-21-52-49-18-8-10-24-56(49)69-60(52)53)43-31-29-40(30-32-43)39-25-27-41(28-26-39)44-34-36-57-54(37-44)50-35-33-45(38-58(50)68-57)47-19-11-20-51-48-17-7-9-23-55(48)67(59(47)51)46-15-5-2-6-16-46/h1-38H
• InChIKey: MZGLZCHZULVEFV-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.02
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole?

The IUPAC name of 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole (CID 157480548) is 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole?

The canonical SMILES for 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6oc7cc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)ccc7c6c5)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole?

The InChIKey is MZGLZCHZULVEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O2/c1-3-13-42(14-4-1)61-64-62(66-63(65-61)53-22-12-21-52-49-18-8-10-24-56(49)69-60(52)53)43-31-29-40(30-32-43)39-25-27-41(28-26-39)44-34-36-57-54(37-44)50-35-33-45(38-58(50)68-57)47-19-11-20-51-48-17-7-9-23-55(48)67(59(47)51)46-15-5-2-6-16-46/h1-38H.

What are the key properties of 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole?

1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole has a molecular weight of 883.02 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 157480548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).