11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine

C96H86N8O2 — CID 155022373

About 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine

11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine (PubChem CID 155022373) has the molecular formula C96H86N8O2 and a molecular weight of 1383.80 g/mol. Its IUPAC name is 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine
• PubChem CID: 155022373
• Molecular Formula: C96H86N8O2
• Molecular Weight: 1383.80 g/mol
• Exact Mass: 1382.69
• IUPAC Name: 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c3ccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)Cc7cc8c9ccccc9n(-c9cc(C(C)(C)C)ccn9)c8cc7Oc7ccc8c9ccc(-c%10c(C(C)C)cccc%10C(C)C)cc9n9ccnc9c8c7)ccn6)c5c4)cc3c3nccn3c2c1
• InChI: InChI=1S/C96H86N8O2/c1-56(2)68-22-18-23-69(57(3)4)91(68)60-28-33-76-72-35-30-65(51-80(72)93-99-42-44-101(93)84(76)47-60)105-67-32-37-78-74-20-14-16-26-82(74)103(86(78)53-67)90-50-64(39-41-98-90)96(12,13)55-62-46-79-75-21-15-17-27-83(75)104(89-49-63(38-40-97-89)95(9,10)11)87(79)54-88(62)106-66-31-36-73-77-34-29-61(48-85(77)102-45-43-100-94(102)81(73)52-66)92-70(58(5)6)24-19-25-71(92)59(7)8/h14-54,56-59H,55H2,1-13H3
• InChIKey: UOKPFZUGJPJWCX-UHFFFAOYSA-N
• XLogP: 25.81
• TPSA: 88.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1383.80
LogP ≤ 5	25.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine?

The IUPAC name of 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine (CID 155022373) is 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine.

What is the SMILES notation for 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine?

The canonical SMILES for 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine is CC(C)c1cccc(C(C)C)c1-c1ccc2c3ccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)Cc7cc8c9ccccc9n(-c9cc(C(C)(C)C)ccn9)c8cc7Oc7ccc8c9ccc(-c%10c(C(C)C)cccc%10C(C)C)cc9n9ccnc9c8c7)ccn6)c5c4)cc3c3nccn3c2c1.

What is the InChIKey of 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine?

The InChIKey is UOKPFZUGJPJWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H86N8O2/c1-56(2)68-22-18-23-69(57(3)4)91(68)60-28-33-76-72-35-30-65(51-80(72)93-99-42-44-101(93)84(76)47-60)105-67-32-37-78-74-20-14-16-26-82(74)103(86(78)53-67)90-50-64(39-41-98-90)96(12,13)55-62-46-79-75-21-15-17-27-83(75)104(89-49-63(38-40-97-89)95(9,10)11)87(79)54-88(62)106-66-31-36-73-77-34-29-61(48-85(77)102-45-43-100-94(102)81(73)52-66)92-70(58(5)6)24-19-25-71(92)59(7)8/h14-54,56-59H,55H2,1-13H3.

What are the key properties of 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine?

11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine has a molecular weight of 1383.80 g/mol, XLogP of 25.81, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9-[4-[1-[9-(4-tert-butyl-2-pyridinyl)-2-[6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxycarbazol-3-yl]-2-methylpropan-2-yl]-2-pyridinyl]carbazol-2-yl]oxy-6-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 155022373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).