9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole

C51H51Ge2N2O2P — CID 169322545

About 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole

9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole (PubChem CID 169322545) has the molecular formula C51H51Ge2N2O2P and a molecular weight of 900.18 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole
• PubChem CID: 169322545
• Molecular Formula: C51H51Ge2N2O2P
• Molecular Weight: 900.18 g/mol
• Exact Mass: 902.21
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccc(-c4ccc5c(c4)[Ge](C)(C)CC[Ge]5(C)C)cc3c3ccc(Oc4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)cc32)c1
• InChI: InChI=1S/C51H51Ge2N2O2P/c1-51(2,3)38-27-30-54-50(33-38)55-48-26-22-36(37-21-25-46-47(32-37)53(6,7)29-28-52(46,4)5)31-45(48)44-24-23-40(35-49(44)55)57-39-15-14-20-43(34-39)58(56,41-16-10-8-11-17-41)42-18-12-9-13-19-42/h8-27,30-35H,28-29H2,1-7H3
• InChIKey: KFHHMGZMDKKOJK-UHFFFAOYSA-N
• XLogP: 11.42
• TPSA: 44.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.18
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole (CID 169322545) is 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole is CC(C)(C)c1ccnc(-n2c3ccc(-c4ccc5c(c4)[Ge](C)(C)CC[Ge]5(C)C)cc3c3ccc(Oc4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole?

The InChIKey is KFHHMGZMDKKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51Ge2N2O2P/c1-51(2,3)38-27-30-54-50(33-38)55-48-26-22-36(37-21-25-46-47(32-37)53(6,7)29-28-52(46,4)5)31-45(48)44-24-23-40(35-49(44)55)57-39-15-14-20-43(34-39)58(56,41-16-10-8-11-17-41)42-18-12-9-13-19-42/h8-27,30-35H,28-29H2,1-7H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole has a molecular weight of 900.18 g/mol, XLogP of 11.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-(3-diphenylphosphorylphenoxy)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodigermin-6-yl)carbazole is sourced from PubChem (CID 169322545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).