9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole

C49H42GeN4O — CID 166497139

About 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole

9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole (PubChem CID 166497139) has the molecular formula C49H42GeN4O and a molecular weight of 775.51 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole
• PubChem CID: 166497139
• Molecular Formula: C49H42GeN4O
• Molecular Weight: 775.51 g/mol
• Exact Mass: 776.26
• IUPAC Name: 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole
• SMILES: CC1(C)CC[Ge](C)(C)c2c1ccc(-c1ccccc1)c2-[n+]1[c-]n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C49H42GeN4O/c1-49(2)28-29-50(3,4)47-41(49)27-26-38(34-15-6-5-7-16-34)48(47)53-33-52(43-21-10-11-22-44(43)53)35-17-14-18-36(31-35)55-37-24-25-40-39-19-8-9-20-42(39)54(45(40)32-37)46-23-12-13-30-51-46/h5-27,30-32H,28-29H2,1-4H3
• InChIKey: VSVAEROTFQNOGH-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.51
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole?

The IUPAC name of 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole (CID 166497139) is 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole is CC1(C)CC[Ge](C)(C)c2c1ccc(-c1ccccc1)c2-[n+]1[c-]n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccccc21.

What is the InChIKey of 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole?

The InChIKey is VSVAEROTFQNOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42GeN4O/c1-49(2)28-29-50(3,4)47-41(49)27-26-38(34-15-6-5-7-16-34)48(47)53-33-52(43-21-10-11-22-44(43)53)35-17-14-18-36(31-35)55-37-24-25-40-39-19-8-9-20-42(39)54(45(40)32-37)46-23-12-13-30-51-46/h5-27,30-32H,28-29H2,1-4H3.

What are the key properties of 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole?

9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole has a molecular weight of 775.51 g/mol, XLogP of 11.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-pyridin-2-yl-2-[3-[3-(1,1,4,4-tetramethyl-7-phenyl-2,3-dihydro-1-benzogermin-8-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole is sourced from PubChem (CID 166497139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).