11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

C180H100N12O8 — CID 159795508

About 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (PubChem CID 159795508) has the molecular formula C180H100N12O8 and a molecular weight of 2558.86 g/mol. Its IUPAC name is 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
• PubChem CID: 159795508
• Molecular Formula: C180H100N12O8
• Molecular Weight: 2558.86 g/mol
• Exact Mass: 2556.78
• IUPAC Name: 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
• SMILES: c1cc(-c2ccncc2)nc(-c2c3ccccc3c(-c3nc4c(ccc5c6ccccc6oc54)c4oc5ccccc5c34)c3ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4nc5c(ccc6c7ccccc7oc65)c5oc6ccccc6c45)c4ccccc34)cn2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc5c(ccc6c7ccccc7oc65)c5oc6ccccc6c45)c4ccccc34)n2)cc1.c1cncc(-c2c3ccccc3c(-c3nc4c(ccc5c6ccccc6oc54)c4oc5ccccc5c34)c3ccccc23)c1
• InChI: InChI=1S/C50H28N4O2.2C45H25N3O2.C40H22N2O2/c1-3-15-29(16-4-1)48-52-49(30-17-5-2-6-18-30)54-50(53-48)42-34-22-9-7-20-32(34)41(33-21-8-10-23-35(33)42)45-43-37-24-12-14-26-40(37)55-46(43)38-28-27-36-31-19-11-13-25-39(31)56-47(36)44(38)51-45;1-3-14-30-28(12-1)39(26-20-23-36(47-25-26)35-17-9-10-24-46-35)29-13-2-4-15-31(29)40(30)43-41-33-16-6-8-19-38(33)49-44(41)34-22-21-32-27-11-5-7-18-37(27)50-45(32)42(34)48-43;1-3-13-30-28(11-1)39(36-17-9-16-35(47-36)26-22-24-46-25-23-26)29-12-2-4-14-31(29)40(30)43-41-33-15-6-8-19-38(33)49-44(41)34-21-20-32-27-10-5-7-18-37(27)50-45(32)42(34)48-43;1-3-14-27-25(12-1)34(23-10-9-21-41-22-23)26-13-2-4-15-28(26)35(27)38-36-30-16-6-8-18-33(30)43-39(36)31-20-19-29-24-11-5-7-17-32(24)44-40(29)37(31)42-38/h1-28H;2*1-25H;1-22H
• InChIKey: NJCSDLUEHQGLLK-UHFFFAOYSA-N
• XLogP: 48.52
• TPSA: 259.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2558.86
LogP ≤ 5	48.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The IUPAC name of 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (CID 159795508) is 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The canonical SMILES for 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is c1cc(-c2ccncc2)nc(-c2c3ccccc3c(-c3nc4c(ccc5c6ccccc6oc54)c4oc5ccccc5c34)c3ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4nc5c(ccc6c7ccccc7oc65)c5oc6ccccc6c45)c4ccccc34)cn2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc5c(ccc6c7ccccc7oc65)c5oc6ccccc6c45)c4ccccc34)n2)cc1.c1cncc(-c2c3ccccc3c(-c3nc4c(ccc5c6ccccc6oc54)c4oc5ccccc5c34)c3ccccc23)c1.

What is the InChIKey of 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The InChIKey is NJCSDLUEHQGLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O2.2C45H25N3O2.C40H22N2O2/c1-3-15-29(16-4-1)48-52-49(30-17-5-2-6-18-30)54-50(53-48)42-34-22-9-7-20-32(34)41(33-21-8-10-23-35(33)42)45-43-37-24-12-14-26-40(37)55-46(43)38-28-27-36-31-19-11-13-25-39(31)56-47(36)44(38)51-45;1-3-14-30-28(12-1)39(26-20-23-36(47-25-26)35-17-9-10-24-46-35)29-13-2-4-15-31(29)40(30)43-41-33-16-6-8-19-38(33)49-44(41)34-22-21-32-27-11-5-7-18-37(27)50-45(32)42(34)48-43;1-3-13-30-28(11-1)39(36-17-9-16-35(47-36)26-22-24-46-25-23-26)29-12-2-4-14-31(29)40(30)43-41-33-15-6-8-19-38(33)49-44(41)34-21-20-32-27-10-5-7-18-37(27)50-45(32)42(34)48-43;1-3-14-27-25(12-1)34(23-10-9-21-41-22-23)26-13-2-4-15-28(26)35(27)38-36-30-16-6-8-18-33(30)43-39(36)31-20-19-29-24-11-5-7-17-32(24)44-40(29)37(31)42-38/h1-28H;2*1-25H;1-22H.

What are the key properties of 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene has a molecular weight of 2558.86 g/mol, XLogP of 48.52, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-(10-pyridin-3-ylanthracen-9-yl)-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3,15-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 159795508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).