2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine

C106H60N6O4 — CID 155470913

About 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 155470913) has the molecular formula C106H60N6O4 and a molecular weight of 1481.68 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 155470913
• Molecular Formula: C106H60N6O4
• Molecular Weight: 1481.68 g/mol
• Exact Mass: 1480.47
• IUPAC Name: 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6ccc7cc(-c8ccc9oc%10cccc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc%14oc%15ccccc%15c%13%14)n%12)c%11)c%10c9c8)ccc7c6c5)c5oc6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6c45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C106H60N6O4/c1-3-18-63(19-4-1)101-107-103(110-105(108-101)76-45-52-92-87(60-76)83-27-9-11-31-90(83)113-92)74-24-14-23-70(56-74)81-48-49-82(100-99(81)89-58-68(44-51-94(89)116-100)65-41-46-78-71(53-65)38-35-61-17-7-8-26-77(61)78)73-40-37-62-36-39-72-54-66(42-47-79(72)86(62)59-73)67-43-50-93-88(57-67)97-80(29-15-33-95(97)115-93)69-22-13-25-75(55-69)104-109-102(64-20-5-2-6-21-64)111-106(112-104)85-30-16-34-96-98(85)84-28-10-12-32-91(84)114-96/h1-60H
• InChIKey: WVHZPEJZEDQSPK-UHFFFAOYSA-N
• XLogP: 28.60
• TPSA: 129.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1481.68
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 155470913) is 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6ccc7cc(-c8ccc9oc%10cccc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc%14oc%15ccccc%15c%13%14)n%12)c%11)c%10c9c8)ccc7c6c5)c5oc6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6c45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.

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

The InChIKey is WVHZPEJZEDQSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H60N6O4/c1-3-18-63(19-4-1)101-107-103(110-105(108-101)76-45-52-92-87(60-76)83-27-9-11-31-90(83)113-92)74-24-14-23-70(56-74)81-48-49-82(100-99(81)89-58-68(44-51-94(89)116-100)65-41-46-78-71(53-65)38-35-61-17-7-8-26-77(61)78)73-40-37-62-36-39-72-54-66(42-47-79(72)86(62)59-73)67-43-50-93-88(57-67)97-80(29-15-33-95(97)115-93)69-22-13-25-75(55-69)104-109-102(64-20-5-2-6-21-64)111-106(112-104)85-30-16-34-96-98(85)84-28-10-12-32-91(84)114-96/h1-60H.

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

2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1481.68 g/mol, XLogP of 28.60, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155470913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).