22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

C169H109N17 — CID 159822306

IUPAC22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccc4ccccc4c3n5-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C46H30N4.C44H28N4.C40H26N4.C39H25N5/c1-4-15-31(16-5-1)40-29-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-30(16-5-1)38-28-42(46-44(45-38)31-17-6-2-7-18-31)48-39-23-13-12-22-34(39)36-26-40-37(27-41(36)48)35-25-24-29-14-10-11-21-33(29)43(35)47(40)32-19-8-3-9-20-32;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-25-24-32-30-20-10-12-22-36(30)43(38(32)39(33)44)29-18-8-3-9-19-29;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-30H;1-28H;1-26H;1-25H
InChIKeyNMJYBUFDVZWWDA-UHFFFAOYSA-N
MW2377.85 g/mol
LogP42.23
Rot. Bonds17

About 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 159822306) has the molecular formula C169H109N17 and a molecular weight of 2377.85 g/mol. Its IUPAC name is 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID159822306
Molecular FormulaC169H109N17
Molecular Weight2377.85 g/mol
Exact Mass2375.91
IUPAC Name22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccc4ccccc4c3n5-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C46H30N4.C44H28N4.C40H26N4.C39H25N5/c1-4-15-31(16-5-1)40-29-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-30(16-5-1)38-28-42(46-44(45-38)31-17-6-2-7-18-31)48-39-23-13-12-22-34(39)36-26-40-37(27-41(36)48)35-25-24-29-14-10-11-21-33(29)43(35)47(40)32-19-8-3-9-20-32;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-25-24-32-30-20-10-12-22-36(30)43(38(32)39(33)44)29-18-8-3-9-19-29;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-30H;1-28H;1-26H;1-25H
InChIKeyNMJYBUFDVZWWDA-UHFFFAOYSA-N
XLogP42.23
TPSA155.45 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002377.85
LogP ≤ 542.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (CID 159822306) is 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccc4ccccc4c3n5-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is NMJYBUFDVZWWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C44H28N4.C40H26N4.C39H25N5/c1-4-15-31(16-5-1)40-29-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-30(16-5-1)38-28-42(46-44(45-38)31-17-6-2-7-18-31)48-39-23-13-12-22-34(39)36-26-40-37(27-41(36)48)35-25-24-29-14-10-11-21-33(29)43(35)47(40)32-19-8-3-9-20-32;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-25-24-32-30-20-10-12-22-36(30)43(38(32)39(33)44)29-18-8-3-9-19-29;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-30H;1-28H;1-26H;1-25H.
What are the key properties of 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 2377.85 g/mol, XLogP of 42.23, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 159822306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).