N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine

C61H59N5 — CID 169056923

About N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine

N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine (PubChem CID 169056923) has the molecular formula C61H59N5 and a molecular weight of 862.18 g/mol. Its IUPAC name is N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine.

Molecular Properties

• Compound Name: N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine
• PubChem CID: 169056923
• Molecular Formula: C61H59N5
• Molecular Weight: 862.18 g/mol
• Exact Mass: 861.48
• IUPAC Name: N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine
• SMILES: CC(C)(C)c1cc(N2C=CN(c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C2)cc(C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C61H59N5/c1-59(2,3)46-30-31-62-58(39-46)66-56-27-19-18-26-54(56)55-29-28-50(41-57(55)66)65(49-24-16-11-17-25-49)53-35-44(43-20-12-9-13-21-43)34-51(40-53)63-32-33-64(42-63)52-37-47(60(4,5)6)36-48(38-52)61(7,8)45-22-14-10-15-23-45/h9-41H,42H2,1-8H3
• InChIKey: SSHUPJFJDIXZRD-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.18
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine?

The IUPAC name of N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine (CID 169056923) is N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine.

What is the SMILES notation for N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine?

The canonical SMILES for N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine is CC(C)(C)c1cc(N2C=CN(c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C2)cc(C(C)(C)c2ccccc2)c1.

What is the InChIKey of N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine?

The InChIKey is SSHUPJFJDIXZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H59N5/c1-59(2,3)46-30-31-62-58(39-46)66-56-27-19-18-26-54(56)55-29-28-50(41-57(55)66)65(49-24-16-11-17-25-49)53-35-44(43-20-12-9-13-21-43)34-51(40-53)63-32-33-64(42-63)52-37-47(60(4,5)6)36-48(38-52)61(7,8)45-22-14-10-15-23-45/h9-41H,42H2,1-8H3.

What are the key properties of N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine?

N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine has a molecular weight of 862.18 g/mol, XLogP of 15.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine is sourced from PubChem (CID 169056923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).