26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene

C184H104N16 — CID 159495348

About 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene

26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene (PubChem CID 159495348) has the molecular formula C184H104N16 and a molecular weight of 2538.97 g/mol. Its IUPAC name is 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene.

Molecular Properties

• Compound Name: 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene
• PubChem CID: 159495348
• Molecular Formula: C184H104N16
• Molecular Weight: 2538.97 g/mol
• Exact Mass: 2536.86
• IUPAC Name: 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene
• SMILES: c1cc2ccc3ccc(-c4ccc5c(c4)c4ccccc4c4nc6c7cccnc7c7ncccc7c6n54)c4ccc(c1)c2c34.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n4c5nc5c6cccnc6c6ncccc6c54)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5ccccc5c5nc7c8cccnc8c8ncccc8c7n65)ccc34)ccc2c1.c1ccc2cc(-c3ccc4c(c3)c3ccccc3n3c4nc4c5cccnc5c5ncccc5c43)ccc2c1
• InChI: InChI=1S/C59H34N4.C49H28N4.C41H22N4.C35H20N4/c1-3-13-37-31-41(23-21-35(37)11-1)53-44-16-6-7-17-45(44)54(42-24-22-36-12-2-4-14-38(36)32-42)51-34-39(25-27-46(51)53)40-26-28-52-50(33-40)43-15-5-8-18-47(43)59-62-57-48-19-9-29-60-55(48)56-49(20-10-30-61-56)58(57)63(52)59;1-2-12-30-27-31(22-21-29(30)11-1)43-34-14-3-5-16-36(34)44(37-17-6-4-15-35(37)43)32-23-24-38-41(28-32)33-13-7-8-20-42(33)53-48-40-19-10-26-51-46(40)45-39(18-9-25-50-45)47(48)52-49(38)53;1-2-9-30-28(8-1)33-22-26(27-17-14-25-13-12-23-6-3-7-24-15-18-29(27)36(25)35(23)24)16-19-34(33)45-40-32-11-5-21-43-38(32)37-31(10-4-20-42-37)39(40)44-41(30)45;1-2-8-22-19-23(14-13-21(22)7-1)24-15-16-26-29(20-24)25-9-3-4-12-30(25)39-34-28-11-6-18-37-32(28)31-27(10-5-17-36-31)33(34)38-35(26)39/h1-34H;1-28H;1-22H;1-20H
• InChIKey: LYSDQIJUQAWCHU-UHFFFAOYSA-N
• XLogP: 47.35
• TPSA: 172.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2538.97
LogP ≤ 5	47.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene?

The IUPAC name of 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene (CID 159495348) is 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene.

What is the SMILES notation for 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene?

The canonical SMILES for 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene is c1cc2ccc3ccc(-c4ccc5c(c4)c4ccccc4c4nc6c7cccnc7c7ncccc7c6n54)c4ccc(c1)c2c34.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n4c5nc5c6cccnc6c6ncccc6c54)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5ccccc5c5nc7c8cccnc8c8ncccc8c7n65)ccc34)ccc2c1.c1ccc2cc(-c3ccc4c(c3)c3ccccc3n3c4nc4c5cccnc5c5ncccc5c43)ccc2c1.

What is the InChIKey of 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene?

The InChIKey is LYSDQIJUQAWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4.C49H28N4.C41H22N4.C35H20N4/c1-3-13-37-31-41(23-21-35(37)11-1)53-44-16-6-7-17-45(44)54(42-24-22-36-12-2-4-14-38(36)32-42)51-34-39(25-27-46(51)53)40-26-28-52-50(33-40)43-15-5-8-18-47(43)59-62-57-48-19-9-29-60-55(48)56-49(20-10-30-61-56)58(57)63(52)59;1-2-12-30-27-31(22-21-29(30)11-1)43-34-14-3-5-16-36(34)44(37-17-6-4-15-35(37)43)32-23-24-38-41(28-32)33-13-7-8-20-42(33)53-48-40-19-10-26-51-46(40)45-39(18-9-25-50-45)47(48)52-49(38)53;1-2-9-30-28(8-1)33-22-26(27-17-14-25-13-12-23-6-3-7-24-15-18-29(27)36(25)35(23)24)16-19-34(33)45-40-32-11-5-21-43-38(32)37-31(10-4-20-42-37)39(40)44-41(30)45;1-2-8-22-19-23(14-13-21(22)7-1)24-15-16-26-29(20-24)25-9-3-4-12-30(25)39-34-28-11-6-18-37-32(28)31-27(10-5-17-36-31)33(34)38-35(26)39/h1-34H;1-28H;1-22H;1-20H.

What are the key properties of 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene?

26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene has a molecular weight of 2538.97 g/mol, XLogP of 47.35, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(10-naphthalen-2-ylanthracen-9-yl)-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;21-naphthalen-2-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18(23),19,21,24,26,28-tetradecaene;26-pyren-1-yl-1,7,10,16-tetrazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,6,9(14),10,12,16,18,20,22,24(29),25,27-tetradecaene is sourced from PubChem (CID 159495348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).