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

C51H34N4O — CID 170131109

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

3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 170131109) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• PubChem CID: 170131109
• Molecular Formula: C51H34N4O
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.27
• IUPAC Name: 3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• SMILES: C1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)C=C2Oc3ccccc3C2C1
• InChI: InChI=1S/C51H34N4O/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)43-23-8-7-20-39(43)37-18-13-19-38(30-37)55-45-24-11-9-21-40(45)44-31-35(27-29-46(44)55)36-26-28-42-41-22-10-12-25-47(41)56-48(42)32-36/h1-27,29-32,42H,28H2
• InChIKey: ZHKCTECOOTWEAF-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 170131109) is 3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is C1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)C=C2Oc3ccccc3C2C1.

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

The InChIKey is ZHKCTECOOTWEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)43-23-8-7-20-39(43)37-18-13-19-38(30-37)55-45-24-11-9-21-40(45)44-31-35(27-29-46(44)55)36-26-28-42-41-22-10-12-25-47(41)56-48(42)32-36/h1-27,29-32,42H,28H2.

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

3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170131109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).