3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

C78H67Br2N5 — CID 158459295

About 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (PubChem CID 158459295) has the molecular formula C78H67Br2N5 and a molecular weight of 1234.24 g/mol. Its IUPAC name is 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.

Molecular Properties

• Compound Name: 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
• PubChem CID: 158459295
• Molecular Formula: C78H67Br2N5
• Molecular Weight: 1234.24 g/mol
• Exact Mass: 1231.38
• IUPAC Name: 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
• SMILES: CC1(C)c2ccccc2Cc2c(N)cc(Br)cc21.CCc1nc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc3c2n1-c1ccccc1C3(C)C.CCc1nc2cc(Br)cc3c2n1-c1ccccc1C3(C)C
• InChI: InChI=1S/C44H34N2.C18H17BrN2.C16H16BrN/c1-4-40-45-38-27-31(26-37-43(38)46(40)39-21-13-12-20-36(39)44(37,2)3)42-34-18-10-8-16-32(34)41(33-17-9-11-19-35(33)42)30-24-22-29(23-25-30)28-14-6-5-7-15-28;1-4-16-20-14-10-11(19)9-13-17(14)21(16)15-8-6-5-7-12(15)18(13,2)3;1-16(2)13-6-4-3-5-10(13)7-12-14(16)8-11(17)9-15(12)18/h5-27H,4H2,1-3H3;5-10H,4H2,1-3H3;3-6,8-9H,7,18H2,1-2H3
• InChIKey: HEYUJQCUXQUFPS-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 61.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1234.24
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

The IUPAC name of 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (CID 158459295) is 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.

What is the SMILES notation for 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

The canonical SMILES for 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is CC1(C)c2ccccc2Cc2c(N)cc(Br)cc21.CCc1nc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc3c2n1-c1ccccc1C3(C)C.CCc1nc2cc(Br)cc3c2n1-c1ccccc1C3(C)C.

What is the InChIKey of 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

The InChIKey is HEYUJQCUXQUFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2.C18H17BrN2.C16H16BrN/c1-4-40-45-38-27-31(26-37-43(38)46(40)39-21-13-12-20-36(39)44(37,2)3)42-34-18-10-8-16-32(34)41(33-17-9-11-19-35(33)42)30-24-22-29(23-25-30)28-14-6-5-7-15-28;1-4-16-20-14-10-11(19)9-13-17(14)21(16)15-8-6-5-7-12(15)18(13,2)3;1-16(2)13-6-4-3-5-10(13)7-12-14(16)8-11(17)9-15(12)18/h5-27H,4H2,1-3H3;5-10H,4H2,1-3H3;3-6,8-9H,7,18H2,1-2H3.

What are the key properties of 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene has a molecular weight of 1234.24 g/mol, XLogP of 20.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-10,10-dimethyl-9H-anthracen-1-amine;11-bromo-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-ethyl-8,8-dimethyl-11-[10-(4-phenylphenyl)anthracen-9-yl]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is sourced from PubChem (CID 158459295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).