2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C308H184N28O7S7 — CID 159829121

IUPAC2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)c5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/6C44H26N4OS.C28H18N2S.C16H10N2O/c1-4-14-27(15-5-1)34-26-35(46-43(45-34)29-18-8-3-9-19-29)30-21-12-22-32-38-33(23-13-24-36(38)49-41(30)32)44-47-39(28-16-6-2-7-17-28)42-40(48-44)31-20-10-11-25-37(31)50-42;1-4-13-27(14-5-1)35-26-36(46-43(45-35)29-17-8-3-9-18-29)33-21-12-20-32-31-24-23-30(25-37(31)49-41(32)33)44-47-39(28-15-6-2-7-16-28)42-40(48-44)34-19-10-11-22-38(34)50-42;1-4-13-27(14-5-1)35-26-36(28-15-6-2-7-16-28)46-43(45-35)30-23-24-31-32-20-12-21-34(42(32)50-38(31)25-30)44-47-39(29-17-8-3-9-18-29)41-40(48-44)33-19-10-11-22-37(33)49-41;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-43(45-34)30-23-24-32-38(25-30)50-37-22-12-20-33(39(32)37)44-47-40(29-17-8-3-9-18-29)42-41(48-44)31-19-10-11-21-36(31)49-42;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-43(45-34)30-23-24-37-33(25-30)39-32(20-12-22-38(39)50-37)44-47-40(29-17-8-3-9-18-29)42-41(48-44)31-19-10-11-21-36(31)49-42;1-4-12-27(13-5-1)35-26-36(28-14-6-2-7-15-28)46-43(45-35)30-21-23-38-34(24-30)32-22-20-31(25-39(32)50-38)44-47-40(29-16-8-3-9-17-29)42-41(48-44)33-18-10-11-19-37(33)49-42;1-3-9-19(10-4-1)24-18-25(20-11-5-2-6-12-20)30-28(29-24)21-15-16-27-23(17-21)22-13-7-8-14-26(22)31-27;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h6*1-26H;1-18H;1-10H
InChIKeyNNFRENBXWVEGPV-UHFFFAOYSA-N
MW4613.52 g/mol
LogP83.10
Rot. Bonds34

About 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159829121) has the molecular formula C308H184N28O7S7 and a molecular weight of 4613.52 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID159829121
Molecular FormulaC308H184N28O7S7
Molecular Weight4613.52 g/mol
Exact Mass4609.29
IUPAC Name2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)c5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/6C44H26N4OS.C28H18N2S.C16H10N2O/c1-4-14-27(15-5-1)34-26-35(46-43(45-34)29-18-8-3-9-19-29)30-21-12-22-32-38-33(23-13-24-36(38)49-41(30)32)44-47-39(28-16-6-2-7-17-28)42-40(48-44)31-20-10-11-25-37(31)50-42;1-4-13-27(14-5-1)35-26-36(46-43(45-35)29-17-8-3-9-18-29)33-21-12-20-32-31-24-23-30(25-37(31)49-41(32)33)44-47-39(28-15-6-2-7-16-28)42-40(48-44)34-19-10-11-22-38(34)50-42;1-4-13-27(14-5-1)35-26-36(28-15-6-2-7-16-28)46-43(45-35)30-23-24-31-32-20-12-21-34(42(32)50-38(31)25-30)44-47-39(29-17-8-3-9-18-29)41-40(48-44)33-19-10-11-22-37(33)49-41;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-43(45-34)30-23-24-32-38(25-30)50-37-22-12-20-33(39(32)37)44-47-40(29-17-8-3-9-18-29)42-41(48-44)31-19-10-11-21-36(31)49-42;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-43(45-34)30-23-24-37-33(25-30)39-32(20-12-22-38(39)50-37)44-47-40(29-17-8-3-9-18-29)42-41(48-44)31-19-10-11-21-36(31)49-42;1-4-12-27(13-5-1)35-26-36(28-14-6-2-7-15-28)46-43(45-35)30-21-23-38-34(24-30)32-22-20-31(25-39(32)50-38)44-47-40(29-16-8-3-9-17-29)42-41(48-44)33-18-10-11-19-37(33)49-42;1-3-9-19(10-4-1)24-18-25(20-11-5-2-6-12-20)30-28(29-24)21-15-16-27-23(17-21)22-13-7-8-14-26(22)31-27;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h6*1-26H;1-18H;1-10H
InChIKeyNNFRENBXWVEGPV-UHFFFAOYSA-N
XLogP83.10
TPSA452.90 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms350
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004613.52
LogP ≤ 583.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 159829121) is 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)c5c4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NNFRENBXWVEGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C44H26N4OS.C28H18N2S.C16H10N2O/c1-4-14-27(15-5-1)34-26-35(46-43(45-34)29-18-8-3-9-19-29)30-21-12-22-32-38-33(23-13-24-36(38)49-41(30)32)44-47-39(28-16-6-2-7-17-28)42-40(48-44)31-20-10-11-25-37(31)50-42;1-4-13-27(14-5-1)35-26-36(46-43(45-35)29-17-8-3-9-18-29)33-21-12-20-32-31-24-23-30(25-37(31)49-41(32)33)44-47-39(28-15-6-2-7-16-28)42-40(48-44)34-19-10-11-22-38(34)50-42;1-4-13-27(14-5-1)35-26-36(28-15-6-2-7-16-28)46-43(45-35)30-23-24-31-32-20-12-21-34(42(32)50-38(31)25-30)44-47-39(29-17-8-3-9-18-29)41-40(48-44)33-19-10-11-22-37(33)49-41;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-43(45-34)30-23-24-32-38(25-30)50-37-22-12-20-33(39(32)37)44-47-40(29-17-8-3-9-18-29)42-41(48-44)31-19-10-11-21-36(31)49-42;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-43(45-34)30-23-24-37-33(25-30)39-32(20-12-22-38(39)50-37)44-47-40(29-17-8-3-9-18-29)42-41(48-44)31-19-10-11-21-36(31)49-42;1-4-12-27(13-5-1)35-26-36(28-14-6-2-7-15-28)46-43(45-35)30-21-23-38-34(24-30)32-22-20-31(25-39(32)50-38)44-47-40(29-16-8-3-9-17-29)42-41(48-44)33-18-10-11-19-37(33)49-42;1-3-9-19(10-4-1)24-18-25(20-11-5-2-6-12-20)30-28(29-24)21-15-16-27-23(17-21)22-13-7-8-14-26(22)31-27;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h6*1-26H;1-18H;1-10H.
What are the key properties of 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 4613.52 g/mol, XLogP of 83.10, 34 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159829121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).