9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole

C150H95N9O3 — CID 162089206

IUPAC9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3-c2cccc3c2oc2cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)c(-c3ccccc3)n2)cc1
InChIInChI=1S/2C52H33N3O.C46H29N3O/c1-5-15-34(16-6-1)38-28-30-46-43(31-38)40-29-27-39(35-17-7-2-8-18-35)32-48(40)55(46)47-25-13-24-42-50-41(23-14-26-49(50)56-51(42)47)45-33-44(36-19-9-3-10-20-36)53-52(54-45)37-21-11-4-12-22-37;1-5-15-34(16-6-1)38-27-29-40-41-30-28-39(35-17-7-2-8-18-35)32-48(41)55(47(40)31-38)46-25-13-24-43-50-42(23-14-26-49(50)56-51(43)46)45-33-44(36-19-9-3-10-20-36)53-52(54-45)37-21-11-4-12-22-37;1-4-16-30(17-5-1)43-42(44(31-18-6-2-7-19-31)48-46(47-43)32-20-8-3-9-21-32)35-24-15-29-40-41(35)36-25-14-28-39(45(36)50-40)49-37-26-12-10-22-33(37)34-23-11-13-27-38(34)49/h2*1-33H;1-29H
InChIKeyZDJIHCYWBZRSAL-UHFFFAOYSA-N
MW2071.47 g/mol
LogP39.76
Rot. Bonds17

About 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole

9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole (PubChem CID 162089206) has the molecular formula C150H95N9O3 and a molecular weight of 2071.47 g/mol. Its IUPAC name is 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
PubChem CID162089206
Molecular FormulaC150H95N9O3
Molecular Weight2071.47 g/mol
Exact Mass2069.76
IUPAC Name9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3-c2cccc3c2oc2cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)c(-c3ccccc3)n2)cc1
InChIInChI=1S/2C52H33N3O.C46H29N3O/c1-5-15-34(16-6-1)38-28-30-46-43(31-38)40-29-27-39(35-17-7-2-8-18-35)32-48(40)55(46)47-25-13-24-42-50-41(23-14-26-49(50)56-51(42)47)45-33-44(36-19-9-3-10-20-36)53-52(54-45)37-21-11-4-12-22-37;1-5-15-34(16-6-1)38-27-29-40-41-30-28-39(35-17-7-2-8-18-35)32-48(41)55(47(40)31-38)46-25-13-24-43-50-42(23-14-26-49(50)56-51(43)46)45-33-44(36-19-9-3-10-20-36)53-52(54-45)37-21-11-4-12-22-37;1-4-16-30(17-5-1)43-42(44(31-18-6-2-7-19-31)48-46(47-43)32-20-8-3-9-21-32)35-24-15-29-40-41(35)36-25-14-28-39(45(36)50-40)49-37-26-12-10-22-33(37)34-23-11-13-27-38(34)49/h2*1-33H;1-29H
InChIKeyZDJIHCYWBZRSAL-UHFFFAOYSA-N
XLogP39.76
TPSA131.55 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.47
LogP ≤ 539.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole with MolForge

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Related Compounds

2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
CID 146395679
9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110
9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 146337911
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 158100934
3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 146491418
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
CID 130327501

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole (CID 162089206) is 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3-c2cccc3c2oc2cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4oc4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is ZDJIHCYWBZRSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N3O.C46H29N3O/c1-5-15-34(16-6-1)38-28-30-46-43(31-38)40-29-27-39(35-17-7-2-8-18-35)32-48(40)55(46)47-25-13-24-42-50-41(23-14-26-49(50)56-51(42)47)45-33-44(36-19-9-3-10-20-36)53-52(54-45)37-21-11-4-12-22-37;1-5-15-34(16-6-1)38-27-29-40-41-30-28-39(35-17-7-2-8-18-35)32-48(41)55(47(40)31-38)46-25-13-24-43-50-42(23-14-26-49(50)56-51(43)46)45-33-44(36-19-9-3-10-20-36)53-52(54-45)37-21-11-4-12-22-37;1-4-16-30(17-5-1)43-42(44(31-18-6-2-7-19-31)48-46(47-43)32-20-8-3-9-21-32)35-24-15-29-40-41(35)36-25-14-28-39(45(36)50-40)49-37-26-12-10-22-33(37)34-23-11-13-27-38(34)49/h2*1-33H;1-29H.
What are the key properties of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 2071.47 g/mol, XLogP of 39.76, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 162089206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).