9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine

C141H83N15OS4 — CID 167557931

IUPAC9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)n2)cc1
InChIInChI=1S/C47H27N5OS.C47H27N5S2.C47H29N5S/c2*1-3-10-30(11-4-1)44-37-24-25-38-45(52-54-51-38)43(37)36-23-22-32(26-41(36)48-44)40-27-39(49-47(50-40)31-12-5-2-6-13-31)29-20-18-28(19-21-29)33-15-9-16-35-34-14-7-8-17-42(34)53-46(33)35;1-5-13-30(14-6-1)35-25-36(31-15-7-2-8-16-31)27-37(26-35)42-29-41(49-47(50-42)33-19-11-4-12-20-33)34-21-22-38-43(28-34)48-45(32-17-9-3-10-18-32)39-23-24-40-46(44(38)39)52-53-51-40/h2*1-27H;1-29H
InChIKeyDGJXGGZUQGHYDI-UHFFFAOYSA-N
MW2131.59 g/mol
LogP37.49
Rot. Bonds16

About 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine

9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine (PubChem CID 167557931) has the molecular formula C141H83N15OS4 and a molecular weight of 2131.59 g/mol. Its IUPAC name is 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine.

Molecular Properties

Compound Name9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
PubChem CID167557931
Molecular FormulaC141H83N15OS4
Molecular Weight2131.59 g/mol
Exact Mass2129.58
IUPAC Name9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)n2)cc1
InChIInChI=1S/C47H27N5OS.C47H27N5S2.C47H29N5S/c2*1-3-10-30(11-4-1)44-37-24-25-38-45(52-54-51-38)43(37)36-23-22-32(26-41(36)48-44)40-27-39(49-47(50-40)31-12-5-2-6-13-31)29-20-18-28(19-21-29)33-15-9-16-35-34-14-7-8-17-42(34)53-46(33)35;1-5-13-30(14-6-1)35-25-36(31-15-7-2-8-16-31)27-37(26-35)42-29-41(49-47(50-42)33-19-11-4-12-20-33)34-21-22-38-43(28-34)48-45(32-17-9-3-10-18-32)39-23-24-40-46(44(38)39)52-53-51-40/h2*1-27H;1-29H
InChIKeyDGJXGGZUQGHYDI-UHFFFAOYSA-N
XLogP37.49
TPSA206.49 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002131.59
LogP ≤ 537.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine with MolForge

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Related Compounds

9-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383334
3-dibenzofuran-4-yl-6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159421645
3-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 162124424
3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 158635809
4-[3-(2-dibenzofuran-4-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171582779
1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 160808607
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 160798448
6-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158524980
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1-phenyl-[1]benzofuro[2,3-c]quinoline
CID 158269231
18-[7-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164940091
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
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

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The IUPAC name of 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine (CID 167557931) is 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine.
What is the SMILES notation for 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The canonical SMILES for 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)n2)cc1.
What is the InChIKey of 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The InChIKey is DGJXGGZUQGHYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5OS.C47H27N5S2.C47H29N5S/c2*1-3-10-30(11-4-1)44-37-24-25-38-45(52-54-51-38)43(37)36-23-22-32(26-41(36)48-44)40-27-39(49-47(50-40)31-12-5-2-6-13-31)29-20-18-28(19-21-29)33-15-9-16-35-34-14-7-8-17-42(34)53-46(33)35;1-5-13-30(14-6-1)35-25-36(31-15-7-2-8-16-31)27-37(26-35)42-29-41(49-47(50-42)33-19-11-4-12-20-33)34-21-22-38-43(28-34)48-45(32-17-9-3-10-18-32)39-23-24-40-46(44(38)39)52-53-51-40/h2*1-27H;1-29H.
What are the key properties of 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine has a molecular weight of 2131.59 g/mol, XLogP of 37.49, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine is sourced from PubChem (CID 167557931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).