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

C176H112N10S4 — CID 159738923

IUPAC4-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(ccc6cc(-c7cccc8c7sc7ccccc78)ccc65)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cncc(-c5ccc6sc7ccccc7c6c5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5cc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)ccc5c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)c2)cc1
InChIInChI=1S/C50H32N2S.C48H30N2S.2C39H25N3S/c1-3-11-33(12-4-1)35-15-10-18-42(29-35)46-32-47(52-50(51-46)34-13-5-2-6-14-34)43-24-23-39-28-38(21-22-40(39)30-43)36-16-9-17-37(27-36)41-25-26-49-45(31-41)44-19-7-8-20-48(44)53-49;1-3-10-32(11-4-1)44-30-45(50-48(49-44)34-12-5-2-6-13-34)33-20-18-31(19-21-33)35-24-26-39-36(28-35)22-23-37-29-38(25-27-40(37)39)41-15-9-16-43-42-14-7-8-17-46(42)51-47(41)43;1-3-9-27(10-4-1)35-23-36(42-39(41-35)29-11-5-2-6-12-29)28-17-15-26(16-18-28)31-21-32(25-40-24-31)30-19-20-38-34(22-30)33-13-7-8-14-37(33)43-38;1-2-9-26(10-3-1)29-11-8-12-31(23-29)35-25-36(34-14-6-7-22-40-34)42-39(41-35)28-18-16-27(17-19-28)30-20-21-38-33(24-30)32-13-4-5-15-37(32)43-38/h1-32H;1-30H;2*1-25H
InChIKeyNCEUDBMWFXLSKD-UHFFFAOYSA-N
MW2495.17 g/mol
LogP48.63
Rot. Bonds21

About 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

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 (PubChem CID 159738923) has the molecular formula C176H112N10S4 and a molecular weight of 2495.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159738923
Molecular FormulaC176H112N10S4
Molecular Weight2495.17 g/mol
Exact Mass2492.80
IUPAC Name4-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(ccc6cc(-c7cccc8c7sc7ccccc78)ccc65)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cncc(-c5ccc6sc7ccccc7c6c5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5cc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)ccc5c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)c2)cc1
InChIInChI=1S/C50H32N2S.C48H30N2S.2C39H25N3S/c1-3-11-33(12-4-1)35-15-10-18-42(29-35)46-32-47(52-50(51-46)34-13-5-2-6-14-34)43-24-23-39-28-38(21-22-40(39)30-43)36-16-9-17-37(27-36)41-25-26-49-45(31-41)44-19-7-8-20-48(44)53-49;1-3-10-32(11-4-1)44-30-45(50-48(49-44)34-12-5-2-6-13-34)33-20-18-31(19-21-33)35-24-26-39-36(28-35)22-23-37-29-38(25-27-40(37)39)41-15-9-16-43-42-14-7-8-17-46(42)51-47(41)43;1-3-9-27(10-4-1)35-23-36(42-39(41-35)29-11-5-2-6-12-29)28-17-15-26(16-18-28)31-21-32(25-40-24-31)30-19-20-38-34(22-30)33-13-7-8-14-37(33)43-38;1-2-9-26(10-3-1)29-11-8-12-31(23-29)35-25-36(34-14-6-7-22-40-34)42-39(41-35)28-18-16-27(17-19-28)30-20-21-38-33(24-30)32-13-4-5-15-37(32)43-38/h1-32H;1-30H;2*1-25H
InChIKeyNCEUDBMWFXLSKD-UHFFFAOYSA-N
XLogP48.63
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002495.17
LogP ≤ 548.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 171583138
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 171582614
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261959
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763
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
4-[4-[8-[8-[3-dibenzothiophen-2-yl-5-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]dibenzothiophen-4-yl]phenyl]-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine
CID 137465889
4-[4-(7-dibenzothiophen-4-ylphenanthren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;4-[6-(3-dibenzothiophen-2-ylphenyl)naphthalen-2-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 160527853
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584973
2-(6-phenanthren-2-yldibenzothiophen-2-yl)-4,6-diphenylpyrimidine
CID 166952614
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583300
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4ccc5c(ccc6cc(-c7cccc8c7sc7ccccc78)ccc65)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cncc(-c5ccc6sc7ccccc7c6c5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5cc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)ccc5c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is NCEUDBMWFXLSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S.C48H30N2S.2C39H25N3S/c1-3-11-33(12-4-1)35-15-10-18-42(29-35)46-32-47(52-50(51-46)34-13-5-2-6-14-34)43-24-23-39-28-38(21-22-40(39)30-43)36-16-9-17-37(27-36)41-25-26-49-45(31-41)44-19-7-8-20-48(44)53-49;1-3-10-32(11-4-1)44-30-45(50-48(49-44)34-12-5-2-6-13-34)33-20-18-31(19-21-33)35-24-26-39-36(28-35)22-23-37-29-38(25-27-40(37)39)41-15-9-16-43-42-14-7-8-17-46(42)51-47(41)43;1-3-9-27(10-4-1)35-23-36(42-39(41-35)29-11-5-2-6-12-29)28-17-15-26(16-18-28)31-21-32(25-40-24-31)30-19-20-38-34(22-30)33-13-7-8-14-37(33)43-38;1-2-9-26(10-3-1)29-11-8-12-31(23-29)35-25-36(34-14-6-7-22-40-34)42-39(41-35)28-18-16-27(17-19-28)30-20-21-38-33(24-30)32-13-4-5-15-37(32)43-38/h1-32H;1-30H;2*1-25H.
What are the key properties of 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?
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 has a molecular weight of 2495.17 g/mol, XLogP of 48.63, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159738923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).