18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene

C137H79N13O — CID 167550685

About 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene

18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene (PubChem CID 167550685) has the molecular formula C137H79N13O and a molecular weight of 1923.23 g/mol. Its IUPAC name is 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene.

Molecular Properties

• Compound Name: 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene
• PubChem CID: 167550685
• Molecular Formula: C137H79N13O
• Molecular Weight: 1923.23 g/mol
• Exact Mass: 1921.65
• IUPAC Name: 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5cccc6c7cccc8c9ccccc9c9ccc4c(c9c87)c65)n3)cccc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cccc6c7cccc8c9ccccc9c9ccc4c(c9c87)c65)n3)cn2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4cccc5c6cccc7c8ccccc8c8ccc3c(c8c76)c54)n2)cc1
• InChI: InChI=1S/C48H30N4.C45H24N4O.C44H25N5/c1-48(2)36-22-9-8-17-34(36)40-35(21-11-23-37(40)48)46-49-45(27-13-4-3-5-14-27)50-47(51-46)52-38-24-12-20-32-31-19-10-18-30-28-15-6-7-16-29(28)33-25-26-39(52)44(42(32)38)43(33)41(30)31;1-2-11-25(12-3-1)43-46-44(33-19-10-22-37-38(33)32-15-6-7-21-36(32)50-37)48-45(47-43)49-34-20-9-18-30-29-17-8-16-28-26-13-4-5-14-27(26)31-23-24-35(49)42(40(30)34)41(31)39(28)29;1-3-11-26(12-4-1)35-23-21-28(25-45-35)43-46-42(27-13-5-2-6-14-27)47-44(48-43)49-36-20-10-19-33-32-18-9-17-31-29-15-7-8-16-30(29)34-22-24-37(49)41(39(33)36)40(34)38(31)32/h3-26H,1-2H3;1-24H;1-25H
• InChIKey: CJBJCOXZASXTAH-UHFFFAOYSA-N
• XLogP: 34.64
• TPSA: 156.83 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.23
LogP ≤ 5	34.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene?

The IUPAC name of 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene (CID 167550685) is 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene.

What is the SMILES notation for 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene?

The canonical SMILES for 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5cccc6c7cccc8c9ccccc9c9ccc4c(c9c87)c65)n3)cccc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cccc6c7cccc8c9ccccc9c9ccc4c(c9c87)c65)n3)cn2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4cccc5c6cccc7c8ccccc8c8ccc3c(c8c76)c54)n2)cc1.

What is the InChIKey of 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene?

The InChIKey is CJBJCOXZASXTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.C45H24N4O.C44H25N5/c1-48(2)36-22-9-8-17-34(36)40-35(21-11-23-37(40)48)46-49-45(27-13-4-3-5-14-27)50-47(51-46)52-38-24-12-20-32-31-19-10-18-30-28-15-6-7-16-29(28)33-25-26-39(52)44(42(32)38)43(33)41(30)31;1-2-11-25(12-3-1)43-46-44(33-19-10-22-37-38(33)32-15-6-7-21-36(32)50-37)48-45(47-43)49-34-20-9-18-30-29-17-8-16-28-26-13-4-5-14-27(26)31-23-24-35(49)42(40(30)34)41(31)39(28)29;1-3-11-26(12-4-1)35-23-21-28(25-45-35)43-46-42(27-13-5-2-6-14-27)47-44(48-43)49-36-20-10-19-33-32-18-9-17-31-29-15-7-8-16-30(29)34-22-24-37(49)41(39(33)36)40(34)38(31)32/h3-26H,1-2H3;1-24H;1-25H.

What are the key properties of 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene?

18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene has a molecular weight of 1923.23 g/mol, XLogP of 34.64, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene;18-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene is sourced from PubChem (CID 167550685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).