10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine

C120H124N2 — CID 169278484

About 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine

10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine (PubChem CID 169278484) has the molecular formula C120H124N2 and a molecular weight of 1594.33 g/mol. Its IUPAC name is 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine.

Molecular Properties

• Compound Name: 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine
• PubChem CID: 169278484
• Molecular Formula: C120H124N2
• Molecular Weight: 1594.33 g/mol
• Exact Mass: 1592.98
• IUPAC Name: 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine
• SMILES: CC(C)(C)c1cc(N(c2cc(C3CC4CCC3C4)cc(C3CC4CCC3C4)c2)c2c3ccc(-c4ccccc4)cc3c(-c3c4cc(-c5ccccc5)ccc4c(N(c4cc(C5CC6CCC5C6)cc(C5CC6CCC5C6)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-c5ccccc5)ccc34)c3ccc(-c4ccccc4)cc23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C120H124N2/c1-117(2,3)93-67-94(118(4,5)6)70-99(69-93)121(97-59-89(105-53-73-33-37-85(105)49-73)57-90(60-97)106-54-74-34-38-86(106)50-74)115-103-47-43-81(77-25-17-13-18-26-77)63-109(103)113(101-45-41-83(65-111(101)115)79-29-21-15-22-30-79)114-102-46-42-84(80-31-23-16-24-32-80)66-112(102)116(104-48-44-82(64-110(104)114)78-27-19-14-20-28-78)122(100-71-95(119(7,8)9)68-96(72-100)120(10,11)12)98-61-91(107-55-75-35-39-87(107)51-75)58-92(62-98)108-56-76-36-40-88(108)52-76/h13-32,41-48,57-76,85-88,105-108H,33-40,49-56H2,1-12H3
• InChIKey: VXQUYHCEEKZFEK-UHFFFAOYSA-N
• XLogP: 34.38
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1594.33
LogP ≤ 5	34.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine?

The IUPAC name of 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine (CID 169278484) is 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine.

What is the SMILES notation for 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine?

The canonical SMILES for 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine is CC(C)(C)c1cc(N(c2cc(C3CC4CCC3C4)cc(C3CC4CCC3C4)c2)c2c3ccc(-c4ccccc4)cc3c(-c3c4cc(-c5ccccc5)ccc4c(N(c4cc(C5CC6CCC5C6)cc(C5CC6CCC5C6)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-c5ccccc5)ccc34)c3ccc(-c4ccccc4)cc23)cc(C(C)(C)C)c1.

What is the InChIKey of 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine?

The InChIKey is VXQUYHCEEKZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H124N2/c1-117(2,3)93-67-94(118(4,5)6)70-99(69-93)121(97-59-89(105-53-73-33-37-85(105)49-73)57-90(60-97)106-54-74-34-38-86(106)50-74)115-103-47-43-81(77-25-17-13-18-26-77)63-109(103)113(101-45-41-83(65-111(101)115)79-29-21-15-22-30-79)114-102-46-42-84(80-31-23-16-24-32-80)66-112(102)116(104-48-44-82(64-110(104)114)78-27-19-14-20-28-78)122(100-71-95(119(7,8)9)68-96(72-100)120(10,11)12)98-61-91(107-55-75-35-39-87(107)51-75)58-92(62-98)108-56-76-36-40-88(108)52-76/h13-32,41-48,57-76,85-88,105-108H,33-40,49-56H2,1-12H3.

What are the key properties of 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine?

10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine has a molecular weight of 1594.33 g/mol, XLogP of 34.38, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine is sourced from PubChem (CID 169278484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).