7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline

C52H32N4O2 — CID 146666292

IUPAC7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7cccnc7c6)c(-c6ccc7cccnc7c6)cc4O5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H32N4O2/c1-3-9-33(10-4-1)34-15-17-37(18-16-34)46-32-47(56-52(55-46)38-11-5-2-6-12-38)41-23-24-48-49(29-41)58-51-31-43(40-22-20-36-14-8-26-54-45(36)28-40)42(30-50(51)57-48)39-21-19-35-13-7-25-53-44(35)27-39/h1-32H
InChIKeyDSXCWWGIEHRBOK-UHFFFAOYSA-N
MW744.85 g/mol
LogP13.47
Rot. Bonds6

About 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline

7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline (PubChem CID 146666292) has the molecular formula C52H32N4O2 and a molecular weight of 744.85 g/mol. Its IUPAC name is 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline.

Molecular Properties

Compound Name7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline
PubChem CID146666292
Molecular FormulaC52H32N4O2
Molecular Weight744.85 g/mol
Exact Mass744.25
IUPAC Name7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7cccnc7c6)c(-c6ccc7cccnc7c6)cc4O5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H32N4O2/c1-3-9-33(10-4-1)34-15-17-37(18-16-34)46-32-47(56-52(55-46)38-11-5-2-6-12-38)41-23-24-48-49(29-41)58-51-31-43(40-22-20-36-14-8-26-54-45(36)28-40)42(30-50(51)57-48)39-21-19-35-13-7-25-53-44(35)27-39/h1-32H
InChIKeyDSXCWWGIEHRBOK-UHFFFAOYSA-N
XLogP13.47
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline with MolForge

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Related Compounds

7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
CID 167339318
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-quinolin-2-yldibenzo-p-dioxin-2-yl]quinoline
CID 146666271
2-[2-dibenzo-p-dioxin-2-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 174257491
7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793113
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042
8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 165106906
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
4-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 164936933
4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 164937047
7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-thioxanthene]-3-yl]quinoline
CID 146549503

Frequently Asked Questions

What is the IUPAC name of 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline?
The IUPAC name of 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline (CID 146666292) is 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline.
What is the SMILES notation for 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline?
The canonical SMILES for 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7cccnc7c6)c(-c6ccc7cccnc7c6)cc4O5)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline?
The InChIKey is DSXCWWGIEHRBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O2/c1-3-9-33(10-4-1)34-15-17-37(18-16-34)46-32-47(56-52(55-46)38-11-5-2-6-12-38)41-23-24-48-49(29-41)58-51-31-43(40-22-20-36-14-8-26-54-45(36)28-40)42(30-50(51)57-48)39-21-19-35-13-7-25-53-44(35)27-39/h1-32H.
What are the key properties of 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline?
7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline has a molecular weight of 744.85 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-quinolin-7-yldibenzo-p-dioxin-2-yl]quinoline is sourced from PubChem (CID 146666292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).