2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride

C60H65ClN4O — CID 175429919

About 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride

2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride (PubChem CID 175429919) has the molecular formula C60H65ClN4O and a molecular weight of 893.66 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride
• PubChem CID: 175429919
• Molecular Formula: C60H65ClN4O
• Molecular Weight: 893.66 g/mol
• Exact Mass: 892.48
• IUPAC Name: 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride
• SMILES: CC(C)c1cc(C(C)C)c(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cc(-c6ccc(C(C)C)c(C(C)C)c6C(C)C)cc(-n6cnc7ccccc76)c5)cc43)c2)c(C(C)C)c1.Cl
• InChI: InChI=1S/C60H64N4O.ClH/c1-35(2)42-29-51(37(5)6)60(52(30-42)38(7)8)41-25-26-61-57(31-41)64-54-19-15-13-17-49(54)50-22-21-45(33-56(50)64)65-46-28-43(27-44(32-46)63-34-62-53-18-14-16-20-55(53)63)48-24-23-47(36(3)4)58(39(9)10)59(48)40(11)12;/h13-40H,1-12H3;1H
• InChIKey: ZDNXXTCTOVMLKN-UHFFFAOYSA-N
• XLogP: 17.81
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.66
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride?

The IUPAC name of 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride (CID 175429919) is 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride.

What is the SMILES notation for 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride?

The canonical SMILES for 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride is CC(C)c1cc(C(C)C)c(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cc(-c6ccc(C(C)C)c(C(C)C)c6C(C)C)cc(-n6cnc7ccccc76)c5)cc43)c2)c(C(C)C)c1.Cl.

What is the InChIKey of 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride?

The InChIKey is ZDNXXTCTOVMLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64N4O.ClH/c1-35(2)42-29-51(37(5)6)60(52(30-42)38(7)8)41-25-26-61-57(31-41)64-54-19-15-13-17-49(54)50-22-21-45(33-56(50)64)65-46-28-43(27-44(32-46)63-34-62-53-18-14-16-20-55(53)63)48-24-23-47(36(3)4)58(39(9)10)59(48)40(11)12;/h13-40H,1-12H3;1H.

What are the key properties of 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride?

2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride has a molecular weight of 893.66 g/mol, XLogP of 17.81, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(benzimidazol-1-yl)-5-[2,3,4-tri(propan-2-yl)phenyl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole;hydrochloride is sourced from PubChem (CID 175429919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).