2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine

C195H125N9S4 — CID 159041263

IUPAC2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(-c4ccccn4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C55H35NS.C50H32N2S.2C45H29N3S/c1-2-9-42(10-3-1)52-34-47(35-53(56-52)43-25-22-38(23-26-43)44-28-30-49-46(32-44)27-24-41-8-4-5-11-48(41)49)40-20-16-37(17-21-40)36-14-18-39(19-15-36)45-29-31-55-51(33-45)50-12-6-7-13-54(50)57-55;1-2-10-38(11-3-1)46-32-47(39-25-23-37(24-26-39)43-15-8-12-36-9-4-5-13-42(36)43)52-50(51-46)40-27-21-34(22-28-40)33-17-19-35(20-18-33)41-29-30-49-45(31-41)44-14-6-7-16-48(44)53-49;1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)45-47-41(29-42(48-45)40-16-9-10-24-46-40)33-20-18-32(19-21-33)34-22-23-44-39(28-34)38-15-7-8-17-43(38)49-44;1-3-9-30(10-4-1)32-15-21-35(22-16-32)43-46-44(36-23-17-33(18-24-36)31-11-5-2-6-12-31)48-45(47-43)37-25-19-34(20-26-37)38-27-28-42-40(29-38)39-13-7-8-14-41(39)49-42/h1-35H;1-32H;2*1-29H
InChIKeyJWBXBAMNWGPVSQ-UHFFFAOYSA-N
MW2722.48 g/mol
LogP54.24
Rot. Bonds24

About 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine

2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine (PubChem CID 159041263) has the molecular formula C195H125N9S4 and a molecular weight of 2722.48 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine
PubChem CID159041263
Molecular FormulaC195H125N9S4
Molecular Weight2722.48 g/mol
Exact Mass2719.89
IUPAC Name2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(-c4ccccn4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C55H35NS.C50H32N2S.2C45H29N3S/c1-2-9-42(10-3-1)52-34-47(35-53(56-52)43-25-22-38(23-26-43)44-28-30-49-46(32-44)27-24-41-8-4-5-11-48(41)49)40-20-16-37(17-21-40)36-14-18-39(19-15-36)45-29-31-55-51(33-45)50-12-6-7-13-54(50)57-55;1-2-10-38(11-3-1)46-32-47(39-25-23-37(24-26-39)43-15-8-12-36-9-4-5-13-42(36)43)52-50(51-46)40-27-21-34(22-28-40)33-17-19-35(20-18-33)41-29-30-49-45(31-41)44-14-6-7-16-48(44)53-49;1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)45-47-41(29-42(48-45)40-16-9-10-24-46-40)33-20-18-32(19-21-33)34-22-23-44-39(28-34)38-15-7-8-17-43(38)49-44;1-3-9-30(10-4-1)32-15-21-35(22-16-32)43-46-44(36-23-17-33(18-24-36)31-11-5-2-6-12-31)48-45(47-43)37-25-19-34(20-26-37)38-27-28-42-40(29-38)39-13-7-8-14-41(39)49-42/h1-35H;1-32H;2*1-29H
InChIKeyJWBXBAMNWGPVSQ-UHFFFAOYSA-N
XLogP54.24
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002722.48
LogP ≤ 554.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine with MolForge

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Related Compounds

4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574
4-[4-(7-dibenzothiophen-4-ylphenanthren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[6-(3-dibenzothiophen-2-ylphenyl)naphthalen-2-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;2-(4-dibenzothiophen-2-ylphenyl)-4-(3-phenylphenyl)-6-pyridin-2-ylpyrimidine;4-[4-(5-dibenzothiophen-2-yl-3-pyridinyl)phenyl]-2,6-diphenylpyrimidine
CID 159738923
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 130263187
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-(3-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171585058
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583030
2,4-bis(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine
CID 159098528
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179
4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine
CID 130270435
8-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
CID 142297990
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171582809
4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130262859

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine?
The IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine (CID 159041263) is 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine.
What is the SMILES notation for 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine?
The canonical SMILES for 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(-c4ccccn4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine?
The InChIKey is JWBXBAMNWGPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS.C50H32N2S.2C45H29N3S/c1-2-9-42(10-3-1)52-34-47(35-53(56-52)43-25-22-38(23-26-43)44-28-30-49-46(32-44)27-24-41-8-4-5-11-48(41)49)40-20-16-37(17-21-40)36-14-18-39(19-15-36)45-29-31-55-51(33-45)50-12-6-7-13-54(50)57-55;1-2-10-38(11-3-1)46-32-47(39-25-23-37(24-26-39)43-15-8-12-36-9-4-5-13-42(36)43)52-50(51-46)40-27-21-34(22-28-40)33-17-19-35(20-18-33)41-29-30-49-45(31-41)44-14-6-7-16-48(44)53-49;1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)45-47-41(29-42(48-45)40-16-9-10-24-46-40)33-20-18-32(19-21-33)34-22-23-44-39(28-34)38-15-7-8-17-43(38)49-44;1-3-9-30(10-4-1)32-15-21-35(22-16-32)43-46-44(36-23-17-33(18-24-36)31-11-5-2-6-12-31)48-45(47-43)37-25-19-34(20-26-37)38-27-28-42-40(29-38)39-13-7-8-14-41(39)49-42/h1-35H;1-32H;2*1-29H.
What are the key properties of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine?
2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine has a molecular weight of 2722.48 g/mol, XLogP of 54.24, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine is sourced from PubChem (CID 159041263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).