2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine

C106H62N6O4 — CID 155470912

About 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine

2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine (PubChem CID 155470912) has the molecular formula C106H62N6O4 and a molecular weight of 1483.70 g/mol. Its IUPAC name is 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 155470912
• Molecular Formula: C106H62N6O4
• Molecular Weight: 1483.70 g/mol
• Exact Mass: 1482.48
• IUPAC Name: 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3-c3cccc4oc5ccc(-c6ccc7c(c6)CCc6ccccc6-7)cc5c34)nc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8cccc9oc%10ccc(-c%11ccc%12c(ccc%13ccccc%13%12)c%11)cc%10c89)n7)c56)cc34)n2)cc1
• InChI: InChI=1S/C106H62N6O4/c1-3-21-63(22-4-1)101-107-103(82-29-13-11-27-77(82)79-31-16-36-93-97(79)88-58-68(47-53-91(88)113-93)65-43-49-75-71(55-65)41-39-61-19-7-9-25-73(61)75)111-105(109-101)85-34-18-38-95-99(85)84-51-45-70(60-96(84)115-95)67-46-52-90-87(57-67)81-33-15-35-86(100(81)116-90)106-110-102(64-23-5-2-6-24-64)108-104(112-106)83-30-14-12-28-78(83)80-32-17-37-94-98(80)89-59-69(48-54-92(89)114-94)66-44-50-76-72(56-66)42-40-62-20-8-10-26-74(62)76/h1-39,41,43-60H,40,42H2
• InChIKey: FVJJBJBIOQNESV-UHFFFAOYSA-N
• XLogP: 28.06
• 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	1483.70
LogP ≤ 5	28.06
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-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine (CID 155470912) is 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3cccc4oc5ccc(-c6ccc7c(c6)CCc6ccccc6-7)cc5c34)nc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8cccc9oc%10ccc(-c%11ccc%12c(ccc%13ccccc%13%12)c%11)cc%10c89)n7)c56)cc34)n2)cc1.

What is the InChIKey of 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is FVJJBJBIOQNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N6O4/c1-3-21-63(22-4-1)101-107-103(82-29-13-11-27-77(82)79-31-16-36-93-97(79)88-58-68(47-53-91(88)113-93)65-43-49-75-71(55-65)41-39-61-19-7-9-25-73(61)75)111-105(109-101)85-34-18-38-95-99(85)84-51-45-70(60-96(84)115-95)67-46-52-90-87(57-67)81-33-15-35-86(100(81)116-90)106-110-102(64-23-5-2-6-24-64)108-104(112-106)83-30-14-12-28-78(83)80-32-17-37-94-98(80)89-59-69(48-54-92(89)114-94)66-44-50-76-72(56-66)42-40-62-20-8-10-26-74(62)76/h1-39,41,43-60H,40,42H2.

What are the key properties of 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine?

2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 1483.70 g/mol, XLogP of 28.06, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155470912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).