3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole

C126H110N2 — CID 159993393

About 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole

3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole (PubChem CID 159993393) has the molecular formula C126H110N2 and a molecular weight of 1652.28 g/mol. Its IUPAC name is 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole
• PubChem CID: 159993393
• Molecular Formula: C126H110N2
• Molecular Weight: 1652.28 g/mol
• Exact Mass: 1650.87
• IUPAC Name: 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole
• SMILES: CCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc(-c4ccc(-c5c6ccc(C(C)(C)C)cc6c(-c6ccc(-c7ccccc7)cc6)c6ccc(C(C)(C)C)cc56)cc4)cc3)ccc21.CCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc(-c4ccc(-c5c6ccc(C(C)(C)C)cc6c(-c6ccccc6)c6ccc(C(C)(C)C)cc56)cc4)cc3)ccc21
• InChI: InChI=1S/C66H57N.C60H53N/c1-8-67-61-37-31-51(44-17-13-10-14-18-44)39-57(61)58-40-52(32-38-62(58)67)48-21-19-46(20-22-48)47-25-29-50(30-26-47)64-56-36-34-53(65(2,3)4)41-59(56)63(55-35-33-54(42-60(55)64)66(5,6)7)49-27-23-45(24-28-49)43-15-11-9-12-16-43;1-8-61-55-33-27-45(39-15-11-9-12-16-39)35-51(55)52-36-46(28-34-56(52)61)42-21-19-40(20-22-42)41-23-25-44(26-24-41)58-50-32-30-47(59(2,3)4)37-53(50)57(43-17-13-10-14-18-43)49-31-29-48(38-54(49)58)60(5,6)7/h9-42H,8H2,1-7H3;9-38H,8H2,1-7H3
• InChIKey: OHFSLRTUQRNDKY-UHFFFAOYSA-N
• XLogP: 35.77
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1652.28
LogP ≤ 5	35.77
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 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole?

The IUPAC name of 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole (CID 159993393) is 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole.

What is the SMILES notation for 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole?

The canonical SMILES for 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole is CCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc(-c4ccc(-c5c6ccc(C(C)(C)C)cc6c(-c6ccc(-c7ccccc7)cc6)c6ccc(C(C)(C)C)cc56)cc4)cc3)ccc21.CCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc(-c4ccc(-c5c6ccc(C(C)(C)C)cc6c(-c6ccccc6)c6ccc(C(C)(C)C)cc56)cc4)cc3)ccc21.

What is the InChIKey of 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole?

The InChIKey is OHFSLRTUQRNDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57N.C60H53N/c1-8-67-61-37-31-51(44-17-13-10-14-18-44)39-57(61)58-40-52(32-38-62(58)67)48-21-19-46(20-22-48)47-25-29-50(30-26-47)64-56-36-34-53(65(2,3)4)41-59(56)63(55-35-33-54(42-60(55)64)66(5,6)7)49-27-23-45(24-28-49)43-15-11-9-12-16-43;1-8-61-55-33-27-45(39-15-11-9-12-16-39)35-51(55)52-36-46(28-34-56(52)61)42-21-19-40(20-22-42)41-23-25-44(26-24-41)58-50-32-30-47(59(2,3)4)37-53(50)57(43-17-13-10-14-18-43)49-31-29-48(38-54(49)58)60(5,6)7/h9-42H,8H2,1-7H3;9-38H,8H2,1-7H3.

What are the key properties of 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole?

3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole has a molecular weight of 1652.28 g/mol, XLogP of 35.77, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole is sourced from PubChem (CID 159993393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).