4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole

C148H94N12O2 — CID 163650670

IUPAC4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2ccc3c4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc6c5c5ccccc5n6-c5ccccc5)cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C57H37N5.C46H29N3O.C45H28N4O/c1-6-18-38(19-7-1)41-30-32-46-47-33-31-42(36-52(47)62(51(46)35-41)45-26-14-5-15-27-45)49-34-43(37-53-54(49)48-28-16-17-29-50(48)61(53)44-24-12-4-13-25-44)57-59-55(39-20-8-2-9-21-39)58-56(60-57)40-22-10-3-11-23-40;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)33-27-37(32-24-25-44-38(26-32)35-20-11-13-23-43(35)50-44)45-36-21-10-12-22-41(36)49(42(45)28-33)34-18-8-3-9-19-34;1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)32-27-36(31-24-25-41-37(26-31)34-20-11-13-23-40(34)50-41)42-35-21-10-12-22-38(35)49(39(42)28-32)33-18-8-3-9-19-33/h1-37H;1-29H;1-28H
InChIKeyILYYPQMCVMQBKO-UHFFFAOYSA-N
MW2072.46 g/mol
LogP38.08
Rot. Bonds17

About 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole

4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole (PubChem CID 163650670) has the molecular formula C148H94N12O2 and a molecular weight of 2072.46 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole
PubChem CID163650670
Molecular FormulaC148H94N12O2
Molecular Weight2072.46 g/mol
Exact Mass2070.76
IUPAC Name4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2ccc3c4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc6c5c5ccccc5n6-c5ccccc5)cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C57H37N5.C46H29N3O.C45H28N4O/c1-6-18-38(19-7-1)41-30-32-46-47-33-31-42(36-52(47)62(51(46)35-41)45-26-14-5-15-27-45)49-34-43(37-53-54(49)48-28-16-17-29-50(48)61(53)44-24-12-4-13-25-44)57-59-55(39-20-8-2-9-21-39)58-56(60-57)40-22-10-3-11-23-40;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)33-27-37(32-24-25-44-38(26-32)35-20-11-13-23-43(35)50-44)45-36-21-10-12-22-41(36)49(42(45)28-33)34-18-8-3-9-19-34;1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)32-27-36(31-24-25-41-37(26-31)34-20-11-13-23-40(34)50-41)42-35-21-10-12-22-38(35)49(39(42)28-32)33-18-8-3-9-19-33/h1-37H;1-29H;1-28H
InChIKeyILYYPQMCVMQBKO-UHFFFAOYSA-N
XLogP38.08
TPSA149.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.46
LogP ≤ 538.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole?
The IUPAC name of 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole (CID 163650670) is 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole.
What is the SMILES notation for 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole?
The canonical SMILES for 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2ccc3c4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc6c5c5ccccc5n6-c5ccccc5)cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole?
The InChIKey is ILYYPQMCVMQBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5.C46H29N3O.C45H28N4O/c1-6-18-38(19-7-1)41-30-32-46-47-33-31-42(36-52(47)62(51(46)35-41)45-26-14-5-15-27-45)49-34-43(37-53-54(49)48-28-16-17-29-50(48)61(53)44-24-12-4-13-25-44)57-59-55(39-20-8-2-9-21-39)58-56(60-57)40-22-10-3-11-23-40;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)33-27-37(32-24-25-44-38(26-32)35-20-11-13-23-43(35)50-44)45-36-21-10-12-22-41(36)49(42(45)28-33)34-18-8-3-9-19-34;1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)32-27-36(31-24-25-41-37(26-31)34-20-11-13-23-40(34)50-41)42-35-21-10-12-22-38(35)49(39(42)28-32)33-18-8-3-9-19-33/h1-37H;1-29H;1-28H.
What are the key properties of 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole?
4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole has a molecular weight of 2072.46 g/mol, XLogP of 38.08, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole;4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-7,9-diphenylcarbazole is sourced from PubChem (CID 163650670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).