7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine

C120H70N6O4S3 — CID 163922463

IUPAC7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc4c3sc3cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3sc3cc(-c5cccc6oc7ccccc7c56)ccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3sc4cc(-c5cccc6oc7ccccc7c56)ccc4c3n2)cc1
InChIInChI=1S/C40H22N2O2S.2C40H24N2OS/c1-2-9-23(10-3-1)40-41-37(25-18-19-28-27-11-4-6-14-31(27)44-34(28)21-25)39-38(42-40)30-20-17-24(22-35(30)45-39)26-13-8-16-33-36(26)29-12-5-7-15-32(29)43-33;1-3-10-25(11-4-1)26-18-20-27(21-19-26)37-39-38(42-40(41-37)28-12-5-2-6-13-28)32-23-22-29(24-35(32)44-39)30-15-9-17-34-36(30)31-14-7-8-16-33(31)43-34;1-3-10-25(11-4-1)27-18-20-28(21-19-27)37-39-38(31-23-22-29(24-35(31)44-39)26-12-5-2-6-13-26)42-40(41-37)32-15-9-17-34-36(32)30-14-7-8-16-33(30)43-34/h1-22H;2*1-24H
InChIKeyRBPAIAGORZYOEG-UHFFFAOYSA-N
MW1756.12 g/mol
LogP34.47
Rot. Bonds11

About 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine

7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 163922463) has the molecular formula C120H70N6O4S3 and a molecular weight of 1756.12 g/mol. Its IUPAC name is 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID163922463
Molecular FormulaC120H70N6O4S3
Molecular Weight1756.12 g/mol
Exact Mass1754.46
IUPAC Name7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc4c3sc3cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3sc3cc(-c5cccc6oc7ccccc7c56)ccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3sc4cc(-c5cccc6oc7ccccc7c56)ccc4c3n2)cc1
InChIInChI=1S/C40H22N2O2S.2C40H24N2OS/c1-2-9-23(10-3-1)40-41-37(25-18-19-28-27-11-4-6-14-31(27)44-34(28)21-25)39-38(42-40)30-20-17-24(22-35(30)45-39)26-13-8-16-33-36(26)29-12-5-7-15-32(29)43-33;1-3-10-25(11-4-1)26-18-20-27(21-19-26)37-39-38(42-40(41-37)28-12-5-2-6-13-28)32-23-22-29(24-35(32)44-39)30-15-9-17-34-36(30)31-14-7-8-16-33(31)43-34;1-3-10-25(11-4-1)27-18-20-28(21-19-27)37-39-38(31-23-22-29(24-35(31)44-39)26-12-5-2-6-13-26)42-40(41-37)32-15-9-17-34-36(32)30-14-7-8-16-33(30)43-34/h1-22H;2*1-24H
InChIKeyRBPAIAGORZYOEG-UHFFFAOYSA-N
XLogP34.47
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001756.12
LogP ≤ 534.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152847637
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155050032
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978573
4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142519709
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142519706
4-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152851071
4-(4-phenylphenyl)-2-(7-triphenylen-2-yldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170091347
2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 148816222
4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157410636
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 177129854
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159314383
4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149190181

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine (CID 163922463) is 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc4c3sc3cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3sc3cc(-c5cccc6oc7ccccc7c56)ccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3sc4cc(-c5cccc6oc7ccccc7c56)ccc4c3n2)cc1.
What is the InChIKey of 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is RBPAIAGORZYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2O2S.2C40H24N2OS/c1-2-9-23(10-3-1)40-41-37(25-18-19-28-27-11-4-6-14-31(27)44-34(28)21-25)39-38(42-40)30-20-17-24(22-35(30)45-39)26-13-8-16-33-36(26)29-12-5-7-15-32(29)43-33;1-3-10-25(11-4-1)26-18-20-27(21-19-26)37-39-38(42-40(41-37)28-12-5-2-6-13-28)32-23-22-29(24-35(32)44-39)30-15-9-17-34-36(30)31-14-7-8-16-33(31)43-34;1-3-10-25(11-4-1)27-18-20-28(21-19-27)37-39-38(31-23-22-29(24-35(31)44-39)26-12-5-2-6-13-26)42-40(41-37)32-15-9-17-34-36(32)30-14-7-8-16-33(30)43-34/h1-22H;2*1-24H.
What are the key properties of 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1756.12 g/mol, XLogP of 34.47, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 163922463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).