10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline

C145H87N11O3S — CID 163595939

IUPAC10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4oc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4oc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c4c3)cc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/2C49H30N4O.C47H27N3OS/c1-3-14-31(15-4-1)41-30-42(33-18-13-19-35(28-33)53-43-24-11-8-20-36(43)37-21-9-12-25-44(37)53)52-49(51-41)34-26-27-45-39(29-34)46-38-22-7-10-23-40(38)50-47(48(46)54-45)32-16-5-2-6-17-32;1-3-13-32(14-4-1)47-48-46(38-19-7-10-20-40(38)50-47)39-29-34(25-28-45(39)54-48)42-30-41(51-49(52-42)33-15-5-2-6-16-33)31-23-26-35(27-24-31)53-43-21-11-8-17-36(43)37-18-9-12-22-44(37)53;1-2-12-29(13-3-1)47-49-39(27-40(50-47)36-18-10-17-34-33-15-7-9-20-42(33)52-46(34)36)31-23-24-41-37(26-31)43-35-16-6-8-19-38(35)48-44(45(43)51-41)32-22-21-28-11-4-5-14-30(28)25-32/h2*1-30H;1-27H
InChIKeyGTKSPRXXSSEEDN-UHFFFAOYSA-N
MW2063.43 g/mol
LogP38.49
Rot. Bonds14

About 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline

10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline (PubChem CID 163595939) has the molecular formula C145H87N11O3S and a molecular weight of 2063.43 g/mol. Its IUPAC name is 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
PubChem CID163595939
Molecular FormulaC145H87N11O3S
Molecular Weight2063.43 g/mol
Exact Mass2061.67
IUPAC Name10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4oc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4oc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c4c3)cc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/2C49H30N4O.C47H27N3OS/c1-3-14-31(15-4-1)41-30-42(33-18-13-19-35(28-33)53-43-24-11-8-20-36(43)37-21-9-12-25-44(37)53)52-49(51-41)34-26-27-45-39(29-34)46-38-22-7-10-23-40(38)50-47(48(46)54-45)32-16-5-2-6-17-32;1-3-13-32(14-4-1)47-48-46(38-19-7-10-20-40(38)50-47)39-29-34(25-28-45(39)54-48)42-30-41(51-49(52-42)33-15-5-2-6-16-33)31-23-26-35(27-24-31)53-43-21-11-8-17-36(43)37-18-9-12-22-44(37)53;1-2-12-29(13-3-1)47-49-39(27-40(50-47)36-18-10-17-34-33-15-7-9-20-42(33)52-46(34)36)31-23-24-41-37(26-31)43-35-16-6-8-19-38(35)48-44(45(43)51-41)32-22-21-28-11-4-5-14-30(28)25-32/h2*1-30H;1-27H
InChIKeyGTKSPRXXSSEEDN-UHFFFAOYSA-N
XLogP38.49
TPSA165.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002063.43
LogP ≤ 538.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline (CID 163595939) is 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4oc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4oc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c4c3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is GTKSPRXXSSEEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H30N4O.C47H27N3OS/c1-3-14-31(15-4-1)41-30-42(33-18-13-19-35(28-33)53-43-24-11-8-20-36(43)37-21-9-12-25-44(37)53)52-49(51-41)34-26-27-45-39(29-34)46-38-22-7-10-23-40(38)50-47(48(46)54-45)32-16-5-2-6-17-32;1-3-13-32(14-4-1)47-48-46(38-19-7-10-20-40(38)50-47)39-29-34(25-28-45(39)54-48)42-30-41(51-49(52-42)33-15-5-2-6-16-33)31-23-26-35(27-24-31)53-43-21-11-8-17-36(43)37-18-9-12-22-44(37)53;1-2-12-29(13-3-1)47-49-39(27-40(50-47)36-18-10-17-34-33-15-7-9-20-42(33)52-46(34)36)31-23-24-41-37(26-31)43-35-16-6-8-19-38(35)48-44(45(43)51-41)32-22-21-28-11-4-5-14-30(28)25-32/h2*1-30H;1-27H.
What are the key properties of 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 2063.43 g/mol, XLogP of 38.49, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzofuro[2,3-c]quinoline;10-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 163595939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).