3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

C60H48N4O — CID 170218146

About 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 170218146) has the molecular formula C60H48N4O and a molecular weight of 841.07 g/mol. Its IUPAC name is 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
• PubChem CID: 170218146
• Molecular Formula: C60H48N4O
• Molecular Weight: 841.07 g/mol
• Exact Mass: 840.38
• IUPAC Name: 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
• SMILES: CC1CC2CC(C)CC(c3ccc(-c4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)n5)c5oc6ccccc6c5c4)cc3)(C1)C2
• InChI: InChI=1S/C60H48N4O/c1-37-28-39-29-38(2)35-60(34-37,36-39)46-25-22-41(23-26-46)45-32-51-49-17-9-11-19-55(49)65-56(51)52(33-45)59-62-57(43-21-20-40-12-6-7-13-42(40)30-43)61-58(63-59)44-24-27-54-50(31-44)48-16-8-10-18-53(48)64(54)47-14-4-3-5-15-47/h3-27,30-33,37-39H,28-29,34-36H2,1-2H3
• InChIKey: LWWGKYIBGQZVPX-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.07
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 170218146) is 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC1CC2CC(C)CC(c3ccc(-c4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)n5)c5oc6ccccc6c5c4)cc3)(C1)C2.

What is the InChIKey of 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The InChIKey is LWWGKYIBGQZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N4O/c1-37-28-39-29-38(2)35-60(34-37,36-39)46-25-22-41(23-26-46)45-32-51-49-17-9-11-19-55(49)65-56(51)52(33-45)59-62-57(43-21-20-40-12-6-7-13-42(40)30-43)61-58(63-59)44-24-27-54-50(31-44)48-16-8-10-18-53(48)64(54)47-14-4-3-5-15-47/h3-27,30-33,37-39H,28-29,34-36H2,1-2H3.

What are the key properties of 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 841.07 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 170218146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).