2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine

C102H56N6O2S2 — CID 155471007

IUPAC2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5ccc(-c7nc(-c8ccccc8)nc(-c8cccc9sc%10ccc(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)cc%10c89)n7)cc56)cc34)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C102H56N6O2S2/c1-3-17-57(18-4-1)97-103-99(107-101(105-97)79-29-15-31-93-95(79)85-52-62(39-47-91(85)111-93)59-33-41-75-71-25-9-7-21-67(71)69-23-11-13-27-73(69)81(75)49-59)65-38-46-88-84(54-65)77-43-35-64(55-89(77)109-88)61-37-45-87-83(51-61)78-44-36-66(56-90(78)110-87)100-104-98(58-19-5-2-6-20-58)106-102(108-100)80-30-16-32-94-96(80)86-53-63(40-48-92(86)112-94)60-34-42-76-72-26-10-8-22-68(72)70-24-12-14-28-74(70)82(76)50-60/h1-56H
InChIKeyLWXVXAXCUUGBPW-UHFFFAOYSA-N
MW1461.74 g/mol
LogP28.51
Rot. Bonds9

About 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine

2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine (PubChem CID 155471007) has the molecular formula C102H56N6O2S2 and a molecular weight of 1461.74 g/mol. Its IUPAC name is 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
PubChem CID155471007
Molecular FormulaC102H56N6O2S2
Molecular Weight1461.74 g/mol
Exact Mass1460.39
IUPAC Name2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5ccc(-c7nc(-c8ccccc8)nc(-c8cccc9sc%10ccc(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)cc%10c89)n7)cc56)cc34)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C102H56N6O2S2/c1-3-17-57(18-4-1)97-103-99(107-101(105-97)79-29-15-31-93-95(79)85-52-62(39-47-91(85)111-93)59-33-41-75-71-25-9-7-21-67(71)69-23-11-13-27-73(69)81(75)49-59)65-38-46-88-84(54-65)77-43-35-64(55-89(77)109-88)61-37-45-87-83(51-61)78-44-36-66(56-90(78)110-87)100-104-98(58-19-5-2-6-20-58)106-102(108-100)80-30-16-32-94-96(80)86-53-63(40-48-92(86)112-94)60-34-42-76-72-26-10-8-22-68(72)70-24-12-14-28-74(70)82(76)50-60/h1-56H
InChIKeyLWXVXAXCUUGBPW-UHFFFAOYSA-N
XLogP28.51
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001461.74
LogP ≤ 528.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzothiophen-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407726
2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 169010868
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170305304
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine (CID 155471007) is 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5ccc(-c7nc(-c8ccccc8)nc(-c8cccc9sc%10ccc(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)cc%10c89)n7)cc56)cc34)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.
What is the InChIKey of 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The InChIKey is LWXVXAXCUUGBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H56N6O2S2/c1-3-17-57(18-4-1)97-103-99(107-101(105-97)79-29-15-31-93-95(79)85-52-62(39-47-91(85)111-93)59-33-41-75-71-25-9-7-21-67(71)69-23-11-13-27-73(69)81(75)49-59)65-38-46-88-84(54-65)77-43-35-64(55-89(77)109-88)61-37-45-87-83(51-61)78-44-36-66(56-90(78)110-87)100-104-98(58-19-5-2-6-20-58)106-102(108-100)80-30-16-32-94-96(80)86-53-63(40-48-92(86)112-94)60-34-42-76-72-26-10-8-22-68(72)70-24-12-14-28-74(70)82(76)50-60/h1-56H.
What are the key properties of 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine has a molecular weight of 1461.74 g/mol, XLogP of 28.51, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155471007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).