15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C178H124N12 — CID 162070535

About 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 162070535) has the molecular formula C178H124N12 and a molecular weight of 2431.03 g/mol. Its IUPAC name is 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 162070535
• Molecular Formula: C178H124N12
• Molecular Weight: 2431.03 g/mol
• Exact Mass: 2429.01
• IUPAC Name: 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc24)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1N3c1ccccc1
• InChI: InChI=1S/C47H33N3.2C45H31N3.C41H29N3/c1-2-44-48-40-22-13-23-42-47(40)50(44)43-30-34(28-29-41(43)49(42)35-16-7-4-8-17-35)46-38-20-11-9-18-36(38)45(37-19-10-12-21-39(37)46)33-26-24-32(25-27-33)31-14-5-3-6-15-31;1-2-42-46-38-24-13-25-40-45(38)48(42)41-28-30(26-27-39(41)47(40)31-16-4-3-5-17-31)43-34-19-8-10-21-36(34)44(37-22-11-9-20-35(37)43)33-23-12-15-29-14-6-7-18-32(29)33;1-2-42-46-38-21-12-22-40-45(38)48(42)41-28-32(25-26-39(41)47(40)33-15-4-3-5-16-33)44-36-19-10-8-17-34(36)43(35-18-9-11-20-37(35)44)31-24-23-29-13-6-7-14-30(29)27-31;1-2-38-42-34-22-13-23-36-41(34)44(38)37-26-28(24-25-35(37)43(36)29-16-7-4-8-17-29)40-32-20-11-9-18-30(32)39(27-14-5-3-6-15-27)31-19-10-12-21-33(31)40/h3-30H,2H2,1H3;2*3-28H,2H2,1H3;3-26H,2H2,1H3
• InChIKey: ZBABQNSHDLQDRY-UHFFFAOYSA-N
• XLogP: 48.02
• TPSA: 84.24 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2431.03
LogP ≤ 5	48.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The IUPAC name of 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 162070535) is 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The canonical SMILES for 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc24)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1N3c1ccccc1.

What is the InChIKey of 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is ZBABQNSHDLQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3.2C45H31N3.C41H29N3/c1-2-44-48-40-22-13-23-42-47(40)50(44)43-30-34(28-29-41(43)49(42)35-16-7-4-8-17-35)46-38-20-11-9-18-36(38)45(37-19-10-12-21-39(37)46)33-26-24-32(25-27-33)31-14-5-3-6-15-31;1-2-42-46-38-24-13-25-40-45(38)48(42)41-28-30(26-27-39(41)47(40)31-16-4-3-5-17-31)43-34-19-8-10-21-36(34)44(37-22-11-9-20-35(37)43)33-23-12-15-29-14-6-7-18-32(29)33;1-2-42-46-38-21-12-22-40-45(38)48(42)41-28-32(25-26-39(41)47(40)33-15-4-3-5-16-33)44-36-19-10-8-17-34(36)43(35-18-9-11-20-37(35)44)31-24-23-29-13-6-7-14-30(29)27-31;1-2-38-42-34-22-13-23-36-41(34)44(38)37-26-28(24-25-35(37)43(36)29-16-7-4-8-17-29)40-32-20-11-9-18-30(32)39(27-14-5-3-6-15-27)31-19-10-12-21-33(31)40/h3-30H,2H2,1H3;2*3-28H,2H2,1H3;3-26H,2H2,1H3.

What are the key properties of 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 2431.03 g/mol, XLogP of 48.02, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-4-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-4-(10-naphthalen-2-ylanthracen-9-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-(10-phenylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;15-ethyl-8-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 162070535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).