2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine

C40H24N2OS — CID 166952761

IUPAC2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3sc3cc(-c5cccc6oc7ccccc7c56)ccc34)n2)cc1
InChIInChI=1S/C40H24N2OS/c1-3-11-25(12-4-1)33-24-34(26-13-5-2-6-14-26)42-40(41-33)32-18-9-17-30-29-22-21-27(23-37(29)44-39(30)32)28-16-10-20-36-38(28)31-15-7-8-19-35(31)43-36/h1-24H
InChIKeyNYUQCZCZVRTGRE-UHFFFAOYSA-N
MW580.71 g/mol
LogP11.41
Rot. Bonds4

About 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine

2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine (PubChem CID 166952761) has the molecular formula C40H24N2OS and a molecular weight of 580.71 g/mol. Its IUPAC name is 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine
PubChem CID166952761
Molecular FormulaC40H24N2OS
Molecular Weight580.71 g/mol
Exact Mass580.16
IUPAC Name2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3sc3cc(-c5cccc6oc7ccccc7c56)ccc34)n2)cc1
InChIInChI=1S/C40H24N2OS/c1-3-11-25(12-4-1)33-24-34(26-13-5-2-6-14-26)42-40(41-33)32-18-9-17-30-29-22-21-27(23-37(29)44-39(30)32)28-16-10-20-36-38(28)31-15-7-8-19-35(31)43-36/h1-24H
InChIKeyNYUQCZCZVRTGRE-UHFFFAOYSA-N
XLogP11.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
5-[4-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]isoquinoline
CID 155018780
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 155328605
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 147900482
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155329006
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 155096599
2-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978829

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine (CID 166952761) is 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3sc3cc(-c5cccc6oc7ccccc7c56)ccc34)n2)cc1.
What is the InChIKey of 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine?
The InChIKey is NYUQCZCZVRTGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2OS/c1-3-11-25(12-4-1)33-24-34(26-13-5-2-6-14-26)42-40(41-33)32-18-9-17-30-29-22-21-27(23-37(29)44-39(30)32)28-16-10-20-36-38(28)31-15-7-8-19-35(31)43-36/h1-24H.
What are the key properties of 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine?
2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine has a molecular weight of 580.71 g/mol, XLogP of 11.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 166952761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).