cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C125H104N6 — CID 159632141

About cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 159632141) has the molecular formula C125H104N6 and a molecular weight of 1690.25 g/mol. Its IUPAC name is cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• PubChem CID: 159632141
• Molecular Formula: C125H104N6
• Molecular Weight: 1690.25 g/mol
• Exact Mass: 1688.83
• IUPAC Name: cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• SMILES: C1CCCCC1.CCc1nc2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)c3c2n1-c1ccccc1C3(C)C.CCc1nc2cccc3c2n1-c1cccc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)c1C3(C)C.Cc1nc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c2n1-c1ccccc1C3(C)C
• InChI: InChI=1S/C44H34N2.C38H30N2.C37H28N2.C6H12/c1-4-39-45-37-26-25-31(42-43(37)46(39)38-22-14-13-21-36(38)44(42,2)3)30-23-24-34-35(27-30)41(29-17-9-6-10-18-29)33-20-12-11-19-32(33)40(34)28-15-7-5-8-16-28;1-4-33-39-31-22-13-21-30-37(31)40(33)32-23-12-20-29(36(32)38(30,2)3)35-27-18-10-8-16-25(27)34(24-14-6-5-7-15-24)26-17-9-11-19-28(26)35;1-23-38-31-22-21-29(35-36(31)39(23)32-20-12-11-19-30(32)37(35,2)3)34-27-17-9-7-15-25(27)33(24-13-5-4-6-14-24)26-16-8-10-18-28(26)34;1-2-4-6-5-3-1/h5-27H,4H2,1-3H3;5-23H,4H2,1-3H3;4-22H,1-3H3;1-6H2
• InChIKey: MPGLUZYVLKJNLG-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1690.25
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The IUPAC name of cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 159632141) is cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

What is the SMILES notation for cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The canonical SMILES for cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is C1CCCCC1.CCc1nc2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)c3c2n1-c1ccccc1C3(C)C.CCc1nc2cccc3c2n1-c1cccc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)c1C3(C)C.Cc1nc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c2n1-c1ccccc1C3(C)C.

What is the InChIKey of cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The InChIKey is MPGLUZYVLKJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2.C38H30N2.C37H28N2.C6H12/c1-4-39-45-37-26-25-31(42-43(37)46(39)38-22-14-13-21-36(38)44(42,2)3)30-23-24-34-35(27-30)41(29-17-9-6-10-18-29)33-20-12-11-19-32(33)40(34)28-15-7-5-8-16-28;1-4-33-39-31-22-13-21-30-37(31)40(33)32-23-12-20-29(36(32)38(30,2)3)35-27-18-10-8-16-25(27)34(24-14-6-5-7-15-24)26-17-9-11-19-28(26)35;1-23-38-31-22-21-29(35-36(31)39(23)32-20-12-11-19-30(32)37(35,2)3)34-27-17-9-7-15-25(27)33(24-13-5-4-6-14-24)26-16-8-10-18-28(26)34;1-2-4-6-5-3-1/h5-27H,4H2,1-3H3;5-23H,4H2,1-3H3;4-22H,1-3H3;1-6H2.

What are the key properties of cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 1690.25 g/mol, XLogP of 33.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane;10-(9,10-diphenylanthracen-2-yl)-15-ethyl-8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-ethyl-8,8-dimethyl-6-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 159632141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).