4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene

C158H106N8 — CID 158288601

About 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene

4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene (PubChem CID 158288601) has the molecular formula C158H106N8 and a molecular weight of 2116.64 g/mol. Its IUPAC name is 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene.

Molecular Properties

• Compound Name: 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
• PubChem CID: 158288601
• Molecular Formula: C158H106N8
• Molecular Weight: 2116.64 g/mol
• Exact Mass: 2114.85
• IUPAC Name: 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
• SMILES: CCc1nc2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3c4ccccc4n1c23.CCc1nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc3c4ccccc4n1c23.CCc1nc2cccc3c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc4n1c23.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c(c4)c4cccc6nc(-c7ccccc7)n5c64)ccc23)cc1
• InChI: InChI=1S/C45H28N2.2C41H28N2.C31H22N2/c1-4-13-29(14-5-1)42-34-19-10-11-20-35(34)43(30-15-6-2-7-16-30)39-28-32(23-25-36(39)42)33-24-26-41-38(27-33)37-21-12-22-40-44(37)47(41)45(46-40)31-17-8-3-9-18-31;1-2-38-42-36-25-29(24-35-30-17-11-12-20-37(30)43(38)41(35)36)28-21-22-33-34(23-28)40(27-15-7-4-8-16-27)32-19-10-9-18-31(32)39(33)26-13-5-3-6-14-26;1-2-38-42-36-19-11-18-33-34-24-29(21-23-37(34)43(38)41(33)36)28-20-22-32-35(25-28)40(27-14-7-4-8-15-27)31-17-10-9-16-30(31)39(32)26-12-5-3-6-13-26;1-2-30-32-28-19-25(18-27-26-9-5-6-10-29(26)33(30)31(27)28)22-13-11-21(12-14-22)24-16-15-20-7-3-4-8-23(20)17-24/h1-28H;2*3-25H,2H2,1H3;3-19H,2H2,1H3
• InChIKey: GLBUNPOLIONJDD-UHFFFAOYSA-N
• XLogP: 42.08
• TPSA: 69.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2116.64
LogP ≤ 5	42.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?

The IUPAC name of 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene (CID 158288601) is 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene.

What is the SMILES notation for 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?

The canonical SMILES for 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene is CCc1nc2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3c4ccccc4n1c23.CCc1nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc3c4ccccc4n1c23.CCc1nc2cccc3c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc4n1c23.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c(c4)c4cccc6nc(-c7ccccc7)n5c64)ccc23)cc1.

What is the InChIKey of 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?

The InChIKey is GLBUNPOLIONJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2.2C41H28N2.C31H22N2/c1-4-13-29(14-5-1)42-34-19-10-11-20-35(34)43(30-15-6-2-7-16-30)39-28-32(23-25-36(39)42)33-24-26-41-38(27-33)37-21-12-22-40-44(37)47(41)45(46-40)31-17-8-3-9-18-31;1-2-38-42-36-25-29(24-35-30-17-11-12-20-37(30)43(38)41(35)36)28-21-22-33-34(23-28)40(27-15-7-4-8-16-27)32-19-10-9-18-31(32)39(33)26-13-5-3-6-14-26;1-2-38-42-36-19-11-18-33-34-24-29(21-23-37(34)43(38)41(33)36)28-20-22-32-35(25-28)40(27-14-7-4-8-15-27)31-17-10-9-16-30(31)39(32)26-12-5-3-6-13-26;1-2-30-32-28-19-25(18-27-26-9-5-6-10-29(26)33(30)31(27)28)22-13-11-21(12-14-22)24-16-15-20-7-3-4-8-23(20)17-24/h1-28H;2*3-25H,2H2,1H3;3-19H,2H2,1H3.

What are the key properties of 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?

4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene has a molecular weight of 2116.64 g/mol, XLogP of 42.08, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene is sourced from PubChem (CID 158288601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).