2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole

C213H129N13S4 — CID 160827716

IUPAC2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6sc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/2C57H34N4S.C52H32N2S.C47H29N3S/c1-3-15-35(16-4-1)55-58-56(45-24-13-27-50-53(45)44-23-11-12-26-49(44)61(50)38-17-5-2-6-18-38)60-57(59-55)46-25-14-28-52-54(46)48-34-37(30-32-51(48)62-52)36-29-31-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-36;1-3-14-35(15-4-1)55-58-56(38-27-30-46-45-22-11-12-24-50(45)61(51(46)34-38)39-16-5-2-6-17-39)60-57(59-55)47-23-13-25-53-54(47)49-33-37(28-31-52(49)62-53)36-26-29-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)48(44)32-36;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-4-11-30(12-5-1)35-23-21-31-19-20-32-22-24-36(28-40(32)39(31)27-35)37-25-26-42-41(29-37)44-38(17-10-18-43(44)51-42)47-49-45(33-13-6-2-7-14-33)48-46(50-47)34-15-8-3-9-16-34/h2*1-34H;1-32H;1-29H
InChIKeySGKBBEBJYFGGFV-UHFFFAOYSA-N
MW2998.73 g/mol
LogP58.45
Rot. Bonds20

About 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole

2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 160827716) has the molecular formula C213H129N13S4 and a molecular weight of 2998.73 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID160827716
Molecular FormulaC213H129N13S4
Molecular Weight2998.73 g/mol
Exact Mass2995.94
IUPAC Name2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6sc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/2C57H34N4S.C52H32N2S.C47H29N3S/c1-3-15-35(16-4-1)55-58-56(45-24-13-27-50-53(45)44-23-11-12-26-49(44)61(50)38-17-5-2-6-18-38)60-57(59-55)46-25-14-28-52-54(46)48-34-37(30-32-51(48)62-52)36-29-31-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-36;1-3-14-35(15-4-1)55-58-56(38-27-30-46-45-22-11-12-24-50(45)61(51(46)34-38)39-16-5-2-6-17-39)60-57(59-55)47-23-13-25-53-54(47)49-33-37(28-31-52(49)62-53)36-26-29-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)48(44)32-36;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-4-11-30(12-5-1)35-23-21-31-19-20-32-22-24-36(28-40(32)39(31)27-35)37-25-26-42-41(29-37)44-38(17-10-18-43(44)51-42)47-49-45(33-13-6-2-7-14-33)48-46(50-47)34-15-8-3-9-16-34/h2*1-34H;1-32H;1-29H
InChIKeySGKBBEBJYFGGFV-UHFFFAOYSA-N
XLogP58.45
TPSA151.65 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002998.73
LogP ≤ 558.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 170265361
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174271172
4-[2-dibenzothiophen-3-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154646
2-(6-dibenzothiophen-1-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118154616
4-[3-(10-dibenzothiophen-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-phenylcarbazole
CID 157091927
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 169278825
9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154938925
3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 160972461
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 160649788

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole (CID 160827716) is 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc3ccc4ccc(-c5ccc6sc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is SGKBBEBJYFGGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H34N4S.C52H32N2S.C47H29N3S/c1-3-15-35(16-4-1)55-58-56(45-24-13-27-50-53(45)44-23-11-12-26-49(44)61(50)38-17-5-2-6-18-38)60-57(59-55)46-25-14-28-52-54(46)48-34-37(30-32-51(48)62-52)36-29-31-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-36;1-3-14-35(15-4-1)55-58-56(38-27-30-46-45-22-11-12-24-50(45)61(51(46)34-38)39-16-5-2-6-17-39)60-57(59-55)47-23-13-25-53-54(47)49-33-37(28-31-52(49)62-53)36-26-29-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)48(44)32-36;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-4-11-30(12-5-1)35-23-21-31-19-20-32-22-24-36(28-40(32)39(31)27-35)37-25-26-42-41(29-37)44-38(17-10-18-43(44)51-42)47-49-45(33-13-6-2-7-14-33)48-46(50-47)34-15-8-3-9-16-34/h2*1-34H;1-32H;1-29H.
What are the key properties of 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole?
2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 2998.73 g/mol, XLogP of 58.45, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 160827716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).