5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline

C310H184N18O6S6 — CID 163645493

IUPAC5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline
SMILESC1=CC2Sc3c(nc(-c4ccc(-c5cccc(-c6cc(-c7cccc8c7oc7ccccc78)nc(-c7ccccc7)n6)c5)c5ccccc45)c4ccccc34)C2C=C1.c1ccc(-c2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)c4ccccc4c3)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4nc5c6ccccc6sc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)c5ccccc45)cc3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C55H33N3OS.C53H33N3OS.2C53H31N3OS.C49H29N3OS.C47H27N3OS/c1-2-13-34(14-3-1)39-15-4-5-16-41(39)48-33-47(36-27-25-35(26-28-36)40-21-12-22-44-42-17-8-10-23-49(42)59-53(40)44)56-55(57-48)38-31-29-37(30-32-38)51-43-18-6-7-19-45(43)54-52(58-51)46-20-9-11-24-50(46)60-54;1-2-14-32(15-3-1)53-54-45(31-46(55-53)43-25-13-24-41-38-20-8-10-26-47(38)57-51(41)43)34-17-12-16-33(30-34)35-28-29-40(37-19-5-4-18-36(35)37)49-39-21-6-7-22-42(39)52-50(56-49)44-23-9-11-27-48(44)58-52;1-2-13-34(14-3-1)53-54-45(31-46(55-53)43-22-12-21-41-38-17-8-10-23-47(38)57-51(41)43)33-27-25-32(26-28-33)35-29-30-40(37-16-5-4-15-36(35)37)49-39-18-6-7-19-42(39)52-50(56-49)44-20-9-11-24-48(44)58-52;1-2-12-32(13-3-1)45-31-46(37-28-35-14-4-5-15-38(35)44(29-37)36-26-27-40-39-16-8-10-20-47(39)57-48(40)30-36)55-53(54-45)34-24-22-33(23-25-34)50-41-17-6-7-18-42(41)52-51(56-50)43-19-9-11-21-49(43)58-52;1-2-12-31(13-3-1)41-29-42(32-26-24-30(25-27-32)35-20-11-21-38-36-16-6-8-22-43(36)53-47(35)38)51-49(50-41)34-15-10-14-33(28-34)45-37-17-4-5-18-39(37)48-46(52-45)40-19-7-9-23-44(40)54-48;1-2-13-28(14-3-1)39-27-40(49-47(48-39)38-22-12-21-35-32-17-8-10-23-41(32)51-45(35)38)31-25-26-34(30-16-5-4-15-29(30)31)43-33-18-6-7-19-36(33)46-44(50-43)37-20-9-11-24-42(37)52-46/h1-33H;1-31,44,48H;2*1-31H;1-29H;1-27H
InChIKeyIHWBNWGATWLNDM-UHFFFAOYSA-N
MW4449.40 g/mol
LogP85.69
Rot. Bonds30

About 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline

5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline (PubChem CID 163645493) has the molecular formula C310H184N18O6S6 and a molecular weight of 4449.40 g/mol. Its IUPAC name is 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline
PubChem CID163645493
Molecular FormulaC310H184N18O6S6
Molecular Weight4449.40 g/mol
Exact Mass4445.30
IUPAC Name5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline
SMILESC1=CC2Sc3c(nc(-c4ccc(-c5cccc(-c6cc(-c7cccc8c7oc7ccccc78)nc(-c7ccccc7)n6)c5)c5ccccc45)c4ccccc34)C2C=C1.c1ccc(-c2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)c4ccccc4c3)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4nc5c6ccccc6sc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)c5ccccc45)cc3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C55H33N3OS.C53H33N3OS.2C53H31N3OS.C49H29N3OS.C47H27N3OS/c1-2-13-34(14-3-1)39-15-4-5-16-41(39)48-33-47(36-27-25-35(26-28-36)40-21-12-22-44-42-17-8-10-23-49(42)59-53(40)44)56-55(57-48)38-31-29-37(30-32-38)51-43-18-6-7-19-45(43)54-52(58-51)46-20-9-11-24-50(46)60-54;1-2-14-32(15-3-1)53-54-45(31-46(55-53)43-25-13-24-41-38-20-8-10-26-47(38)57-51(41)43)34-17-12-16-33(30-34)35-28-29-40(37-19-5-4-18-36(35)37)49-39-21-6-7-22-42(39)52-50(56-49)44-23-9-11-27-48(44)58-52;1-2-13-34(14-3-1)53-54-45(31-46(55-53)43-22-12-21-41-38-17-8-10-23-47(38)57-51(41)43)33-27-25-32(26-28-33)35-29-30-40(37-16-5-4-15-36(35)37)49-39-18-6-7-19-42(39)52-50(56-49)44-20-9-11-24-48(44)58-52;1-2-12-32(13-3-1)45-31-46(37-28-35-14-4-5-15-38(35)44(29-37)36-26-27-40-39-16-8-10-20-47(39)57-48(40)30-36)55-53(54-45)34-24-22-33(23-25-34)50-41-17-6-7-18-42(41)52-51(56-50)43-19-9-11-21-49(43)58-52;1-2-12-31(13-3-1)41-29-42(32-26-24-30(25-27-32)35-20-11-21-38-36-16-6-8-22-43(36)53-47(35)38)51-49(50-41)34-15-10-14-33(28-34)45-37-17-4-5-18-39(37)48-46(52-45)40-19-7-9-23-44(40)54-48;1-2-13-28(14-3-1)39-27-40(49-47(48-39)38-22-12-21-35-32-17-8-10-23-41(32)51-45(35)38)31-25-26-34(30-16-5-4-15-29(30)31)43-33-18-6-7-19-36(33)46-44(50-43)37-20-9-11-24-42(37)52-46/h1-33H;1-31,44,48H;2*1-31H;1-29H;1-27H
InChIKeyIHWBNWGATWLNDM-UHFFFAOYSA-N
XLogP85.69
TPSA310.86 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004449.40
LogP ≤ 585.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline?
The IUPAC name of 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline (CID 163645493) is 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline.
What is the SMILES notation for 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline?
The canonical SMILES for 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline is C1=CC2Sc3c(nc(-c4ccc(-c5cccc(-c6cc(-c7cccc8c7oc7ccccc78)nc(-c7ccccc7)n6)c5)c5ccccc45)c4ccccc34)C2C=C1.c1ccc(-c2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)c4ccccc4c3)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4nc5c6ccccc6sc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)c5ccccc45)cc3)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline?
The InChIKey is IHWBNWGATWLNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3OS.C53H33N3OS.2C53H31N3OS.C49H29N3OS.C47H27N3OS/c1-2-13-34(14-3-1)39-15-4-5-16-41(39)48-33-47(36-27-25-35(26-28-36)40-21-12-22-44-42-17-8-10-23-49(42)59-53(40)44)56-55(57-48)38-31-29-37(30-32-38)51-43-18-6-7-19-45(43)54-52(58-51)46-20-9-11-24-50(46)60-54;1-2-14-32(15-3-1)53-54-45(31-46(55-53)43-25-13-24-41-38-20-8-10-26-47(38)57-51(41)43)34-17-12-16-33(30-34)35-28-29-40(37-19-5-4-18-36(35)37)49-39-21-6-7-22-42(39)52-50(56-49)44-23-9-11-27-48(44)58-52;1-2-13-34(14-3-1)53-54-45(31-46(55-53)43-22-12-21-41-38-17-8-10-23-47(38)57-51(41)43)33-27-25-32(26-28-33)35-29-30-40(37-16-5-4-15-36(35)37)49-39-18-6-7-19-42(39)52-50(56-49)44-20-9-11-24-48(44)58-52;1-2-12-32(13-3-1)45-31-46(37-28-35-14-4-5-15-38(35)44(29-37)36-26-27-40-39-16-8-10-20-47(39)57-48(40)30-36)55-53(54-45)34-24-22-33(23-25-34)50-41-17-6-7-18-42(41)52-51(56-50)43-19-9-11-21-49(43)58-52;1-2-12-31(13-3-1)41-29-42(32-26-24-30(25-27-32)35-20-11-21-38-36-16-6-8-22-43(36)53-47(35)38)51-49(50-41)34-15-10-14-33(28-34)45-37-17-4-5-18-39(37)48-46(52-45)40-19-7-9-23-44(40)54-48;1-2-13-28(14-3-1)39-27-40(49-47(48-39)38-22-12-21-35-32-17-8-10-23-41(32)51-45(35)38)31-25-26-34(30-16-5-4-15-29(30)31)43-33-18-6-7-19-36(33)46-44(50-43)37-20-9-11-24-42(37)52-46/h1-33H;1-31,44,48H;2*1-31H;1-29H;1-27H.
What are the key properties of 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline?
5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline has a molecular weight of 4449.40 g/mol, XLogP of 85.69, 30 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6b,10a-dihydro-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline is sourced from PubChem (CID 163645493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).