9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole

C51H46N4O — CID 158982897

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole (PubChem CID 158982897) has the molecular formula C51H46N4O and a molecular weight of 730.96 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole
• PubChem CID: 158982897
• Molecular Formula: C51H46N4O
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.37
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(-c5ccccc5)cc(N5C=CN(c6ccc(C(C)(C)c7ccccc7)cc6)C5)c4)cc32)c1
• InChI: InChI=1S/C51H46N4O/c1-50(2,3)40-26-27-52-49(32-40)55-47-19-13-12-18-45(47)46-25-24-43(34-48(46)55)56-44-31-37(36-14-8-6-9-15-36)30-42(33-44)54-29-28-53(35-54)41-22-20-39(21-23-41)51(4,5)38-16-10-7-11-17-38/h6-34H,35H2,1-5H3
• InChIKey: JGQVGPLCYLMQNO-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.96
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole (CID 158982897) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(-c5ccccc5)cc(N5C=CN(c6ccc(C(C)(C)c7ccccc7)cc6)C5)c4)cc32)c1.

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

The InChIKey is JGQVGPLCYLMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N4O/c1-50(2,3)40-26-27-52-49(32-40)55-47-19-13-12-18-45(47)46-25-24-43(34-48(46)55)56-44-31-37(36-14-8-6-9-15-36)30-42(33-44)54-29-28-53(35-54)41-22-20-39(21-23-41)51(4,5)38-16-10-7-11-17-38/h6-34H,35H2,1-5H3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole has a molecular weight of 730.96 g/mol, XLogP of 13.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 158982897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).