4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole

C157H100N16O — CID 158901392

IUPAC4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccccc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C56H36N6.C55H35N7.C46H29N3O/c1-6-18-37(19-7-1)47-36-48(38-20-8-2-9-21-38)58-56(57-47)62-49-29-17-16-28-44(49)45-34-41(30-32-50(45)62)42-31-33-51-46(35-42)52-53(39-22-10-3-11-23-39)59-54(40-24-12-4-13-25-40)60-55(52)61(51)43-26-14-5-15-27-43;1-6-18-36(19-7-1)50-49-45-35-41(31-33-48(45)61(42-26-14-5-15-27-42)54(49)58-51(56-50)37-20-8-2-9-21-37)40-30-32-47-44(34-40)43-28-16-17-29-46(43)62(47)55-59-52(38-22-10-3-11-23-38)57-53(60-55)39-24-12-4-13-25-39;1-4-13-30(14-5-1)34-27-28-40-39(29-34)42-43(47-45(33-15-6-2-7-16-33)48-46(42)49(40)35-17-8-3-9-18-35)32-25-23-31(24-26-32)36-20-12-21-38-37-19-10-11-22-41(37)50-44(36)38/h1-36H;1-35H;1-29H
InChIKeyJFMIUVLMNHUJMV-UHFFFAOYSA-N
MW2226.64 g/mol
LogP39.13
Rot. Bonds19

About 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole

4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole (PubChem CID 158901392) has the molecular formula C157H100N16O and a molecular weight of 2226.64 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
PubChem CID158901392
Molecular FormulaC157H100N16O
Molecular Weight2226.64 g/mol
Exact Mass2224.83
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccccc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C56H36N6.C55H35N7.C46H29N3O/c1-6-18-37(19-7-1)47-36-48(38-20-8-2-9-21-38)58-56(57-47)62-49-29-17-16-28-44(49)45-34-41(30-32-50(45)62)42-31-33-51-46(35-42)52-53(39-22-10-3-11-23-39)59-54(40-24-12-4-13-25-40)60-55(52)61(51)43-26-14-5-15-27-43;1-6-18-36(19-7-1)50-49-45-35-41(31-33-48(45)61(42-26-14-5-15-27-42)54(49)58-51(56-50)37-20-8-2-9-21-37)40-30-32-47-44(34-40)43-28-16-17-29-46(43)62(47)55-59-52(38-22-10-3-11-23-38)57-53(60-55)39-24-12-4-13-25-39;1-4-13-30(14-5-1)34-27-28-40-39(29-34)42-43(47-45(33-15-6-2-7-16-33)48-46(42)49(40)35-17-8-3-9-18-35)32-25-23-31(24-26-32)36-20-12-21-38-37-19-10-11-22-41(37)50-44(36)38/h1-36H;1-35H;1-29H
InChIKeyJFMIUVLMNHUJMV-UHFFFAOYSA-N
XLogP39.13
TPSA179.58 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.64
LogP ≤ 539.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole with MolForge

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Related Compounds

4-(3-dibenzofuran-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrimido[4,5-b]indole
CID 154010794
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
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
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161033096
6-bromo-2-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)-9-phenylpyrimido[4,5-b]indole
CID 138617926
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 138617947
2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole
CID 158145179
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole (CID 158901392) is 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccccc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
The InChIKey is JFMIUVLMNHUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6.C55H35N7.C46H29N3O/c1-6-18-37(19-7-1)47-36-48(38-20-8-2-9-21-38)58-56(57-47)62-49-29-17-16-28-44(49)45-34-41(30-32-50(45)62)42-31-33-51-46(35-42)52-53(39-22-10-3-11-23-39)59-54(40-24-12-4-13-25-40)60-55(52)61(51)43-26-14-5-15-27-43;1-6-18-36(19-7-1)50-49-45-35-41(31-33-48(45)61(42-26-14-5-15-27-42)54(49)58-51(56-50)37-20-8-2-9-21-37)40-30-32-47-44(34-40)43-28-16-17-29-46(43)62(47)55-59-52(38-22-10-3-11-23-38)57-53(60-55)39-24-12-4-13-25-39;1-4-13-30(14-5-1)34-27-28-40-39(29-34)42-43(47-45(33-15-6-2-7-16-33)48-46(42)49(40)35-17-8-3-9-18-35)32-25-23-31(24-26-32)36-20-12-21-38-37-19-10-11-22-41(37)50-44(36)38/h1-36H;1-35H;1-29H.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole has a molecular weight of 2226.64 g/mol, XLogP of 39.13, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole is sourced from PubChem (CID 158901392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).