9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole

C55H36N4O — CID 135143609

About 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole

9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole (PubChem CID 135143609) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole.

Molecular Properties

• Compound Name: 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole
• PubChem CID: 135143609
• Molecular Formula: C55H36N4O
• Molecular Weight: 768.92 g/mol
• Exact Mass: 768.29
• IUPAC Name: 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole
• SMILES: C1=CC2Oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccc(-c9cccc%10ccccc9%10)cc87)c6)c5)n4)c3C2C=C1
• InChI: InChI=1S/C55H36N4O/c1-2-15-36(16-3-1)53-56-54(58-55(57-53)47-26-13-29-51-52(47)46-24-7-9-28-50(46)60-51)40-20-10-18-37(32-40)38-19-11-21-41(33-38)59-48-27-8-6-23-44(48)45-31-30-39(34-49(45)59)43-25-12-17-35-14-4-5-22-42(35)43/h1-34,46,50H
• InChIKey: DSWKURHCWMNGEN-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.92
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole?

The IUPAC name of 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole (CID 135143609) is 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole.

What is the SMILES notation for 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole?

The canonical SMILES for 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole is C1=CC2Oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccc(-c9cccc%10ccccc9%10)cc87)c6)c5)n4)c3C2C=C1.

What is the InChIKey of 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole?

The InChIKey is DSWKURHCWMNGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-2-15-36(16-3-1)53-56-54(58-55(57-53)47-26-13-29-51-52(47)46-24-7-9-28-50(46)60-51)40-20-10-18-37(32-40)38-19-11-21-41(33-38)59-48-27-8-6-23-44(48)45-31-30-39(34-49(45)59)43-25-12-17-35-14-4-5-22-42(35)43/h1-34,46,50H.

What are the key properties of 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole?

9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole has a molecular weight of 768.92 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole is sourced from PubChem (CID 135143609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).