4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine

C216H136N6S6 — CID 158243456

IUPAC4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5cccc(-c6cc(-c7cccc(-c8cc(-c9ccccc9)cc9c8sc8c(-c%10ccccc%10)cc(-c%10ccccc%10)cc89)c7)ncn6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4sc5c(-c6cccc(-c7cc(-c8cccc(-c9cc(-c%10cccc(-c%11ccccc%11)c%10)cc%10c9sc9ccc(-c%11cccc(-c%12ccccc%12)c%11)cc9%10)c8)ncn7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cc(-c6cccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)c6)ncn5)c4)cccc23)cc1
InChIInChI=1S/C88H56N2S2.C76H48N2S2.C52H32N2S2/c1-5-19-57(20-6-1)61-27-13-31-65(43-61)69-39-41-85-79(49-69)81-53-75(67-33-15-29-63(45-67)59-23-9-3-10-24-59)51-77(87(81)91-85)71-35-17-37-73(47-71)83-55-84(90-56-89-83)74-38-18-36-72(48-74)78-52-76(68-34-16-30-64(46-68)60-25-11-4-12-26-60)54-82-80-50-70(40-42-86(80)92-88(78)82)66-32-14-28-62(44-66)58-21-7-2-8-22-58;1-7-21-49(22-8-1)59-39-63(53-29-15-5-16-30-53)73-67(43-59)69-45-61(51-25-11-3-12-26-51)41-65(75(69)79-73)55-33-19-35-57(37-55)71-47-72(78-48-77-71)58-36-20-34-56(38-58)66-42-62(52-27-13-4-14-28-52)46-70-68-44-60(50-23-9-2-10-24-50)40-64(74(68)80-76(66)70)54-31-17-6-18-32-54;1-3-13-33(14-4-1)39-21-9-25-43-45-27-11-23-41(51(45)55-49(39)43)35-17-7-19-37(29-35)47-31-48(54-32-53-47)38-20-8-18-36(30-38)42-24-12-28-46-44-26-10-22-40(50(44)56-52(42)46)34-15-5-2-6-16-34/h1-56H;1-48H;1-32H
InChIKeyGFVJKQBSIDNEFK-UHFFFAOYSA-N
MW3007.91 g/mol
LogP62.31
Rot. Bonds28

About 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine

4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine (PubChem CID 158243456) has the molecular formula C216H136N6S6 and a molecular weight of 3007.91 g/mol. Its IUPAC name is 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
PubChem CID158243456
Molecular FormulaC216H136N6S6
Molecular Weight3007.91 g/mol
Exact Mass3004.92
IUPAC Name4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5cccc(-c6cc(-c7cccc(-c8cc(-c9ccccc9)cc9c8sc8c(-c%10ccccc%10)cc(-c%10ccccc%10)cc89)c7)ncn6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4sc5c(-c6cccc(-c7cc(-c8cccc(-c9cc(-c%10cccc(-c%11ccccc%11)c%10)cc%10c9sc9ccc(-c%11cccc(-c%12ccccc%12)c%11)cc9%10)c8)ncn7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cc(-c6cccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)c6)ncn5)c4)cccc23)cc1
InChIInChI=1S/C88H56N2S2.C76H48N2S2.C52H32N2S2/c1-5-19-57(20-6-1)61-27-13-31-65(43-61)69-39-41-85-79(49-69)81-53-75(67-33-15-29-63(45-67)59-23-9-3-10-24-59)51-77(87(81)91-85)71-35-17-37-73(47-71)83-55-84(90-56-89-83)74-38-18-36-72(48-74)78-52-76(68-34-16-30-64(46-68)60-25-11-4-12-26-60)54-82-80-50-70(40-42-86(80)92-88(78)82)66-32-14-28-62(44-66)58-21-7-2-8-22-58;1-7-21-49(22-8-1)59-39-63(53-29-15-5-16-30-53)73-67(43-59)69-45-61(51-25-11-3-12-26-51)41-65(75(69)79-73)55-33-19-35-57(37-55)71-47-72(78-48-77-71)58-36-20-34-56(38-58)66-42-62(52-27-13-4-14-28-52)46-70-68-44-60(50-23-9-2-10-24-50)40-64(74(68)80-76(66)70)54-31-17-6-18-32-54;1-3-13-33(14-4-1)39-21-9-25-43-45-27-11-23-41(51(45)55-49(39)43)35-17-7-19-37(29-35)47-31-48(54-32-53-47)38-20-8-18-36(30-38)42-24-12-28-46-44-26-10-22-40(50(44)56-52(42)46)34-15-5-2-6-16-34/h1-56H;1-48H;1-32H
InChIKeyGFVJKQBSIDNEFK-UHFFFAOYSA-N
XLogP62.31
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003007.91
LogP ≤ 562.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine with MolForge

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Related Compounds

4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 141356979
4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155078247
4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine
CID 137465827
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
3-[3-[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425352
3-[2-(4,6-diphenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(8-phenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(4,6,8-triphenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 157087580
2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene
CID 148698992
8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline
CID 157311899
4-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]-6-[3-[8-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyldibenzothiophen-4-yl]phenyl]pyrimidine
CID 144537261

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine?
The IUPAC name of 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine (CID 158243456) is 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine?
The canonical SMILES for 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5cccc(-c6cc(-c7cccc(-c8cc(-c9ccccc9)cc9c8sc8c(-c%10ccccc%10)cc(-c%10ccccc%10)cc89)c7)ncn6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4sc5c(-c6cccc(-c7cc(-c8cccc(-c9cc(-c%10cccc(-c%11ccccc%11)c%10)cc%10c9sc9ccc(-c%11cccc(-c%12ccccc%12)c%11)cc9%10)c8)ncn7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cc(-c6cccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)c6)ncn5)c4)cccc23)cc1.
What is the InChIKey of 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine?
The InChIKey is GFVJKQBSIDNEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56N2S2.C76H48N2S2.C52H32N2S2/c1-5-19-57(20-6-1)61-27-13-31-65(43-61)69-39-41-85-79(49-69)81-53-75(67-33-15-29-63(45-67)59-23-9-3-10-24-59)51-77(87(81)91-85)71-35-17-37-73(47-71)83-55-84(90-56-89-83)74-38-18-36-72(48-74)78-52-76(68-34-16-30-64(46-68)60-25-11-4-12-26-60)54-82-80-50-70(40-42-86(80)92-88(78)82)66-32-14-28-62(44-66)58-21-7-2-8-22-58;1-7-21-49(22-8-1)59-39-63(53-29-15-5-16-30-53)73-67(43-59)69-45-61(51-25-11-3-12-26-51)41-65(75(69)79-73)55-33-19-35-57(37-55)71-47-72(78-48-77-71)58-36-20-34-56(38-58)66-42-62(52-27-13-4-14-28-52)46-70-68-44-60(50-23-9-2-10-24-50)40-64(74(68)80-76(66)70)54-31-17-6-18-32-54;1-3-13-33(14-4-1)39-21-9-25-43-45-27-11-23-41(51(45)55-49(39)43)35-17-7-19-37(29-35)47-31-48(54-32-53-47)38-20-8-18-36(30-38)42-24-12-28-46-44-26-10-22-40(50(44)56-52(42)46)34-15-5-2-6-16-34/h1-56H;1-48H;1-32H.
What are the key properties of 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine?
4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine has a molecular weight of 3007.91 g/mol, XLogP of 62.31, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine is sourced from PubChem (CID 158243456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).