3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole

C172H106N12OS4 — CID 157168634

IUPAC3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4sc4ccccc45)ccc2n3-c2nccc(-c3ccccc3)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)n4)cc3)cccc12
InChIInChI=1S/C46H27N3S2.C46H29N3S.C40H25N3O.C40H25N3S/c1-4-16-40-33(9-1)38-27-30(32-13-8-15-37-35-11-3-6-18-43(35)51-45(32)37)23-24-41(38)49(40)46-47-26-25-39(48-46)29-21-19-28(20-22-29)31-12-7-14-36-34-10-2-5-17-42(34)50-44(31)36;1-3-12-30(13-4-1)31-22-24-33(25-23-31)41-29-40(32-14-5-2-6-15-32)47-46(48-41)49-42-20-9-7-16-36(42)39-28-34(26-27-43(39)49)35-18-11-19-38-37-17-8-10-21-44(37)50-45(35)38;1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32;1-3-10-26(11-4-1)28-18-20-36-33(24-28)34-25-29(30-15-9-16-32-31-14-7-8-17-38(31)44-39(30)32)19-21-37(34)43(36)40-41-23-22-35(42-40)27-12-5-2-6-13-27/h1-27H;1-29H;2*1-25H
InChIKeyANEXSSFRFSJAOK-UHFFFAOYSA-N
MW2485.09 g/mol
LogP47.34
Rot. Bonds17

About 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole

3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole (PubChem CID 157168634) has the molecular formula C172H106N12OS4 and a molecular weight of 2485.09 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole
PubChem CID157168634
Molecular FormulaC172H106N12OS4
Molecular Weight2485.09 g/mol
Exact Mass2482.75
IUPAC Name3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4sc4ccccc45)ccc2n3-c2nccc(-c3ccccc3)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)n4)cc3)cccc12
InChIInChI=1S/C46H27N3S2.C46H29N3S.C40H25N3O.C40H25N3S/c1-4-16-40-33(9-1)38-27-30(32-13-8-15-37-35-11-3-6-18-43(35)51-45(32)37)23-24-41(38)49(40)46-47-26-25-39(48-46)29-21-19-28(20-22-29)31-12-7-14-36-34-10-2-5-17-42(34)50-44(31)36;1-3-12-30(13-4-1)31-22-24-33(25-23-31)41-29-40(32-14-5-2-6-15-32)47-46(48-41)49-42-20-9-7-16-36(42)39-28-34(26-27-43(39)49)35-18-11-19-38-37-17-8-10-21-44(37)50-45(35)38;1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32;1-3-10-26(11-4-1)28-18-20-36-33(24-28)34-25-29(30-15-9-16-32-31-14-7-8-17-38(31)44-39(30)32)19-21-37(34)43(36)40-41-23-22-35(42-40)27-12-5-2-6-13-27/h1-27H;1-29H;2*1-25H
InChIKeyANEXSSFRFSJAOK-UHFFFAOYSA-N
XLogP47.34
TPSA135.98 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.09
LogP ≤ 547.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole (CID 157168634) is 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4sc4ccccc45)ccc2n3-c2nccc(-c3ccccc3)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)n4)cc3)cccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole?
The InChIKey is ANEXSSFRFSJAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3S2.C46H29N3S.C40H25N3O.C40H25N3S/c1-4-16-40-33(9-1)38-27-30(32-13-8-15-37-35-11-3-6-18-43(35)51-45(32)37)23-24-41(38)49(40)46-47-26-25-39(48-46)29-21-19-28(20-22-29)31-12-7-14-36-34-10-2-5-17-42(34)50-44(31)36;1-3-12-30(13-4-1)31-22-24-33(25-23-31)41-29-40(32-14-5-2-6-15-32)47-46(48-41)49-42-20-9-7-16-36(42)39-28-34(26-27-43(39)49)35-18-11-19-38-37-17-8-10-21-44(37)50-45(35)38;1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32;1-3-10-26(11-4-1)28-18-20-36-33(24-28)34-25-29(30-15-9-16-32-31-14-7-8-17-38(31)44-39(30)32)19-21-37(34)43(36)40-41-23-22-35(42-40)27-12-5-2-6-13-27/h1-27H;1-29H;2*1-25H.
What are the key properties of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole?
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole has a molecular weight of 2485.09 g/mol, XLogP of 47.34, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole is sourced from PubChem (CID 157168634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).