9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine

C251H153N27O6 — CID 163961841

IUPAC9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine
SMILESc1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc(-c2ccnc3c2oc2ccccc23)c1.c1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-c2cccc3c2oc2ccncc23)c1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccccc54)nc3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H28N4O.C44H26N6O.C43H25N7O.2C40H25N3O.C39H24N4O/c1-2-13-29(14-3-1)43-46-44(31-16-10-15-30(27-31)34-22-12-23-38-37-21-6-9-26-41(37)50-42(34)38)48-45(47-43)32-17-11-18-33(28-32)49-39-24-7-4-19-35(39)36-20-5-8-25-40(36)49;1-6-19-35-30(14-1)31-15-2-7-20-36(31)49(35)43-46-42(47-44(48-43)50-37-21-8-3-16-32(37)33-17-4-9-22-38(33)50)28-13-11-12-27(26-28)29-24-25-45-40-34-18-5-10-23-39(34)51-41(29)40;1-5-19-35-26(11-1)27-12-2-6-20-36(27)49(35)42-46-41(47-43(48-42)50-37-21-7-3-13-28(37)29-14-4-8-22-38(29)50)34-18-10-17-33(45-34)31-16-9-15-30-32-25-44-24-23-39(32)51-40(30)31;1-2-12-26(13-3-1)34-25-35(42-40(41-34)43-36-21-7-4-16-30(36)31-17-5-8-22-37(31)43)28-15-10-14-27(24-28)29-19-11-20-33-32-18-6-9-23-38(32)44-39(29)33;1-2-11-26(12-3-1)27-21-28(23-29(22-27)31-16-10-17-35-34-15-6-9-20-38(34)44-39(31)35)30-24-41-40(42-25-30)43-36-18-7-4-13-32(36)33-14-5-8-19-37(33)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-32(24-27)31-14-6-9-17-35(31)44-36)26-18-21-28(22-19-26)43-33-15-7-4-12-29(33)30-13-5-8-16-34(30)43/h1-28H;1-26H;1-25H;2*1-25H;1-24H
InChIKeySIEHHNPPMVMUHX-UHFFFAOYSA-N
MW3643.17 g/mol
LogP63.14
Rot. Bonds25

About 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine

9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 163961841) has the molecular formula C251H153N27O6 and a molecular weight of 3643.17 g/mol. Its IUPAC name is 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine
PubChem CID163961841
Molecular FormulaC251H153N27O6
Molecular Weight3643.17 g/mol
Exact Mass3640.25
IUPAC Name9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine
SMILESc1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc(-c2ccnc3c2oc2ccccc23)c1.c1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-c2cccc3c2oc2ccncc23)c1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccccc54)nc3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H28N4O.C44H26N6O.C43H25N7O.2C40H25N3O.C39H24N4O/c1-2-13-29(14-3-1)43-46-44(31-16-10-15-30(27-31)34-22-12-23-38-37-21-6-9-26-41(37)50-42(34)38)48-45(47-43)32-17-11-18-33(28-32)49-39-24-7-4-19-35(39)36-20-5-8-25-40(36)49;1-6-19-35-30(14-1)31-15-2-7-20-36(31)49(35)43-46-42(47-44(48-43)50-37-21-8-3-16-32(37)33-17-4-9-22-38(33)50)28-13-11-12-27(26-28)29-24-25-45-40-34-18-5-10-23-39(34)51-41(29)40;1-5-19-35-26(11-1)27-12-2-6-20-36(27)49(35)42-46-41(47-43(48-42)50-37-21-7-3-13-28(37)29-14-4-8-22-38(29)50)34-18-10-17-33(45-34)31-16-9-15-30-32-25-44-24-23-39(32)51-40(30)31;1-2-12-26(13-3-1)34-25-35(42-40(41-34)43-36-21-7-4-16-30(36)31-17-5-8-22-37(31)43)28-15-10-14-27(24-28)29-19-11-20-33-32-18-6-9-23-38(32)44-39(29)33;1-2-11-26(12-3-1)27-21-28(23-29(22-27)31-16-10-17-35-34-15-6-9-20-38(34)44-39(31)35)30-24-41-40(42-25-30)43-36-18-7-4-13-32(36)33-14-5-8-19-37(33)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-32(24-27)31-14-6-9-17-35(31)44-36)26-18-21-28(22-19-26)43-33-15-7-4-12-29(33)30-13-5-8-16-34(30)43/h1-28H;1-26H;1-25H;2*1-25H;1-24H
InChIKeySIEHHNPPMVMUHX-UHFFFAOYSA-N
XLogP63.14
TPSA363.19 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003643.17
LogP ≤ 563.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[6-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 163999245
4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159836909
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385
4-[3-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159713948
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158764250
3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422970
3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-4-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159689631
3-[8-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-(3-phenylphenyl)carbazole;6-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylpyrido[3,4-b]indole;8-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-5-phenylpyrido[3,2-b]indole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole
CID 157264801
4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 134316067
3-(3-carbazol-9-ylphenyl)-6-[3-[6-[4-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 139524597
3-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-dibenzofuran-2-yl-9-[5-(4,6-diphenyl-2-pyridinyl)pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-2-yl-9-[5-[4-(3-methylphenyl)-2-pyridinyl]pyrimidin-2-yl]carbazole
CID 160713336
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine (CID 163961841) is 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine is c1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc(-c2ccnc3c2oc2ccccc23)c1.c1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-c2cccc3c2oc2ccncc23)c1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccccc54)nc3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is SIEHHNPPMVMUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O.C44H26N6O.C43H25N7O.2C40H25N3O.C39H24N4O/c1-2-13-29(14-3-1)43-46-44(31-16-10-15-30(27-31)34-22-12-23-38-37-21-6-9-26-41(37)50-42(34)38)48-45(47-43)32-17-11-18-33(28-32)49-39-24-7-4-19-35(39)36-20-5-8-25-40(36)49;1-6-19-35-30(14-1)31-15-2-7-20-36(31)49(35)43-46-42(47-44(48-43)50-37-21-8-3-16-32(37)33-17-4-9-22-38(33)50)28-13-11-12-27(26-28)29-24-25-45-40-34-18-5-10-23-39(34)51-41(29)40;1-5-19-35-26(11-1)27-12-2-6-20-36(27)49(35)42-46-41(47-43(48-42)50-37-21-7-3-13-28(37)29-14-4-8-22-38(29)50)34-18-10-17-33(45-34)31-16-9-15-30-32-25-44-24-23-39(32)51-40(30)31;1-2-12-26(13-3-1)34-25-35(42-40(41-34)43-36-21-7-4-16-30(36)31-17-5-8-22-37(31)43)28-15-10-14-27(24-28)29-19-11-20-33-32-18-6-9-23-38(32)44-39(29)33;1-2-11-26(12-3-1)27-21-28(23-29(22-27)31-16-10-17-35-34-15-6-9-20-38(34)44-39(31)35)30-24-41-40(42-25-30)43-36-18-7-4-13-32(36)33-14-5-8-19-37(33)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-32(24-27)31-14-6-9-17-35(31)44-36)26-18-21-28(22-19-26)43-33-15-7-4-12-29(33)30-13-5-8-16-34(30)43/h1-28H;1-26H;1-25H;2*1-25H;1-24H.
What are the key properties of 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine?
9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 3643.17 g/mol, XLogP of 63.14, 25 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 163961841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).