2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine

C120H68N6O4 — CID 163895901

About 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine

2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 163895901) has the molecular formula C120H68N6O4 and a molecular weight of 1657.90 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
• PubChem CID: 163895901
• Molecular Formula: C120H68N6O4
• Molecular Weight: 1657.90 g/mol
• Exact Mass: 1656.53
• IUPAC Name: 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3cc(-c5cccc(-c6ccc7c(c6)c6ccccc6c6ccc(-c8cccc(-c9nc(-c%10ccc%11c(c%10)oc%10cc(-c%12cccc(-c%13cccc(-c%14ccc%15c%16ccccc%16c%16ccccc%16c%15c%14)c%13)c%12)ccc%10%11)nc(-c%10ccc%11oc%12ccccc%12c%11c%10)n9)c8)cc67)c5)ccc34)n2)cc1
• InChI: InChI=1S/C120H68N6O4/c1-2-18-69(19-3-1)115-121-118(84-43-52-98-96-34-10-12-36-107(96)128-112(98)66-84)126-119(122-115)85-44-53-101-100-51-42-81(65-111(100)129-113(101)67-85)75-25-16-23-73(58-75)78-40-49-95-104(61-78)92-33-9-7-31-90(92)94-48-39-79(62-105(94)95)76-26-17-27-82(59-76)116-123-117(83-46-55-109-106(63-83)97-35-11-13-37-108(97)127-109)125-120(124-116)86-45-54-102-99-50-41-80(64-110(99)130-114(102)68-86)74-24-15-21-71(57-74)70-20-14-22-72(56-70)77-38-47-93-89-30-5-4-28-87(89)88-29-6-8-32-91(88)103(93)60-77/h1-68H
• InChIKey: QFOMKDZDQSNXNB-UHFFFAOYSA-N
• XLogP: 32.58
• TPSA: 129.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1657.90
LogP ≤ 5	32.58
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-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine (CID 163895901) is 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3cc(-c5cccc(-c6ccc7c(c6)c6ccccc6c6ccc(-c8cccc(-c9nc(-c%10ccc%11c(c%10)oc%10cc(-c%12cccc(-c%13cccc(-c%14ccc%15c%16ccccc%16c%16ccccc%16c%15c%14)c%13)c%12)ccc%10%11)nc(-c%10ccc%11oc%12ccccc%12c%11c%10)n9)c8)cc67)c5)ccc34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?

The InChIKey is QFOMKDZDQSNXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H68N6O4/c1-2-18-69(19-3-1)115-121-118(84-43-52-98-96-34-10-12-36-107(96)128-112(98)66-84)126-119(122-115)85-44-53-101-100-51-42-81(65-111(100)129-113(101)67-85)75-25-16-23-73(58-75)78-40-49-95-104(61-78)92-33-9-7-31-90(92)94-48-39-79(62-105(94)95)76-26-17-27-82(59-76)116-123-117(83-46-55-109-106(63-83)97-35-11-13-37-108(97)127-109)125-120(124-116)86-45-54-102-99-50-41-80(64-110(99)130-114(102)68-86)74-24-15-21-71(57-74)70-20-14-22-72(56-70)77-38-47-93-89-30-5-4-28-87(89)88-29-6-8-32-91(88)103(93)60-77/h1-68H.

What are the key properties of 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?

2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 1657.90 g/mol, XLogP of 32.58, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 163895901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).