5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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

C144H103N9 — CID 159101418

About 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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

5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 159101418) has the molecular formula C144H103N9 and a molecular weight of 1959.47 g/mol. Its IUPAC name is 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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: 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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: 159101418
• Molecular Formula: C144H103N9
• Molecular Weight: 1959.47 g/mol
• Exact Mass: 1957.83
• IUPAC Name: 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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-c1ccc(-c2c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc24)cc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc24)cc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc24)cc1N3c1ccccc1
• InChI: InChI=1S/C50H37N3.2C47H33N3/c1-4-46-51-42-23-14-24-44-49(42)53(46)43-28-26-32(30-45(43)52(44)33-15-6-5-7-16-33)48-38-20-10-8-18-36(38)47(37-19-9-11-21-39(37)48)31-25-27-35-34-17-12-13-22-40(34)50(2,3)41(35)29-31;1-2-44-48-40-25-14-26-42-47(40)50(44)41-28-27-34(30-43(41)49(42)35-19-7-4-8-20-35)46-38-23-11-9-21-36(38)45(37-22-10-12-24-39(37)46)33-18-13-17-32(29-33)31-15-5-3-6-16-31;1-2-44-48-40-22-13-23-42-47(40)50(44)41-29-28-34(30-43(41)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/h5-30H,4H2,1-3H3;2*3-30H,2H2,1H3
• InChIKey: KDIGLISEJVCZMY-UHFFFAOYSA-N
• XLogP: 38.67
• TPSA: 63.18 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1959.47
LogP ≤ 5	38.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 159101418) is 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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-c1ccc(-c2c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc24)cc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc24)cc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc24)cc1N3c1ccccc1.

What is the InChIKey of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 KDIGLISEJVCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3.2C47H33N3/c1-4-46-51-42-23-14-24-44-49(42)53(46)43-28-26-32(30-45(43)52(44)33-15-6-5-7-16-33)48-38-20-10-8-18-36(38)47(37-19-9-11-21-39(37)48)31-25-27-35-34-17-12-13-22-40(34)50(2,3)41(35)29-31;1-2-44-48-40-25-14-26-42-47(40)50(44)41-28-27-34(30-43(41)49(42)35-19-7-4-8-20-35)46-38-23-11-9-21-36(38)45(37-22-10-12-24-39(37)46)33-18-13-17-32(29-33)31-15-5-3-6-16-31;1-2-44-48-40-22-13-23-42-47(40)50(44)41-29-28-34(30-43(41)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/h5-30H,4H2,1-3H3;2*3-30H,2H2,1H3.

What are the key properties of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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?

5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 1959.47 g/mol, XLogP of 38.67, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-ethyl-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-5-[10-(3-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-8-phenyl-5-[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 159101418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).