4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine

C92H54N4O2S2 — CID 167197032

IUPAC4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccccc2-c2cc(-c3cccc4c3sc3ccccc34)nc(-c3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)oc7c(-c9ccc(-c%10nc(-c%11ccccc%11-c%11ccccc%11)cc(-c%11cccc%12c%11sc%11ccccc%11%12)n%10)cc9)cccc78)cc6c5c4)cc3)n2)cc1
InChIInChI=1S/C92H54N4O2S2/c1-3-18-56(19-4-1)64-22-7-9-24-67(64)79-53-81(75-32-16-30-73-70-26-11-13-34-86(70)99-89(73)75)95-91(93-79)59-40-36-55(37-41-59)61-45-48-83-77(50-61)78-51-62(46-49-84(78)97-83)63-44-47-69-72-29-15-28-66(88(72)98-85(69)52-63)58-38-42-60(43-39-58)92-94-80(68-25-10-8-23-65(68)57-20-5-2-6-21-57)54-82(96-92)76-33-17-31-74-71-27-12-14-35-87(71)100-90(74)76/h1-54H
InChIKeyUBBOTYVKHCCXBS-UHFFFAOYSA-N
MW1311.60 g/mol
LogP26.14
Rot. Bonds11

About 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine

4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine (PubChem CID 167197032) has the molecular formula C92H54N4O2S2 and a molecular weight of 1311.60 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine
PubChem CID167197032
Molecular FormulaC92H54N4O2S2
Molecular Weight1311.60 g/mol
Exact Mass1310.37
IUPAC Name4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccccc2-c2cc(-c3cccc4c3sc3ccccc34)nc(-c3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)oc7c(-c9ccc(-c%10nc(-c%11ccccc%11-c%11ccccc%11)cc(-c%11cccc%12c%11sc%11ccccc%11%12)n%10)cc9)cccc78)cc6c5c4)cc3)n2)cc1
InChIInChI=1S/C92H54N4O2S2/c1-3-18-56(19-4-1)64-22-7-9-24-67(64)79-53-81(75-32-16-30-73-70-26-11-13-34-86(70)99-89(73)75)95-91(93-79)59-40-36-55(37-41-59)61-45-48-83-77(50-61)78-51-62(46-49-84(78)97-83)63-44-47-69-72-29-15-28-66(88(72)98-85(69)52-63)58-38-42-60(43-39-58)92-94-80(68-25-10-8-23-65(68)57-20-5-2-6-21-57)54-82(96-92)76-33-17-31-74-71-27-12-14-35-87(71)100-90(74)76/h1-54H
InChIKeyUBBOTYVKHCCXBS-UHFFFAOYSA-N
XLogP26.14
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.60
LogP ≤ 526.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine with MolForge

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Related Compounds

4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-2-yl-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-4-yl-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine
CID 160847317
2-[8-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192356
2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138519471
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165006268
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine
CID 171584527
2-phenyl-4-[7-(4-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378458
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-4-yldibenzofuran-1-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-4-yldibenzofuran-1-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzofuran-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[4-(1-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157170313
2-dibenzothiophen-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407726

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine (CID 167197032) is 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine is c1ccc(-c2ccccc2-c2cc(-c3cccc4c3sc3ccccc34)nc(-c3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)oc7c(-c9ccc(-c%10nc(-c%11ccccc%11-c%11ccccc%11)cc(-c%11cccc%12c%11sc%11ccccc%11%12)n%10)cc9)cccc78)cc6c5c4)cc3)n2)cc1.
What is the InChIKey of 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine?
The InChIKey is UBBOTYVKHCCXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N4O2S2/c1-3-18-56(19-4-1)64-22-7-9-24-67(64)79-53-81(75-32-16-30-73-70-26-11-13-34-86(70)99-89(73)75)95-91(93-79)59-40-36-55(37-41-59)61-45-48-83-77(50-61)78-51-62(46-49-84(78)97-83)63-44-47-69-72-29-15-28-66(88(72)98-85(69)52-63)58-38-42-60(43-39-58)92-94-80(68-25-10-8-23-65(68)57-20-5-2-6-21-57)54-82(96-92)76-33-17-31-74-71-27-12-14-35-87(71)100-90(74)76/h1-54H.
What are the key properties of 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine?
4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine has a molecular weight of 1311.60 g/mol, XLogP of 26.14, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 167197032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).