6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline

C72H44N2 — CID 89137414

About 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline

6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline (PubChem CID 89137414) has the molecular formula C72H44N2 and a molecular weight of 937.16 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
• PubChem CID: 89137414
• Molecular Formula: C72H44N2
• Molecular Weight: 937.16 g/mol
• Exact Mass: 936.35
• IUPAC Name: 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc5c5ccccc45)cc3)c2)cc1
• InChI: InChI=1S/C72H44N2/c1-3-17-45(18-4-1)51-41-69(47-19-5-2-6-20-47)73-70(42-51)48-33-31-46(32-34-48)64-43-68-65(49-35-37-61-56-25-9-7-21-52(56)54-23-11-13-27-58(54)66(61)39-49)44-71(74-72(68)63-30-16-15-29-60(63)64)50-36-38-62-57-26-10-8-22-53(57)55-24-12-14-28-59(55)67(62)40-50/h1-44H
• InChIKey: UFDDTGXHLSVWNV-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.16
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline?

The IUPAC name of 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline (CID 89137414) is 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline.

What is the SMILES notation for 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline?

The canonical SMILES for 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)nc5c5ccccc45)cc3)c2)cc1.

What is the InChIKey of 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline?

The InChIKey is UFDDTGXHLSVWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N2/c1-3-17-45(18-4-1)51-41-69(47-19-5-2-6-20-47)73-70(42-51)48-33-31-46(32-34-48)64-43-68-65(49-35-37-61-56-25-9-7-21-52(56)54-23-11-13-27-58(54)66(61)39-49)44-71(74-72(68)63-30-16-15-29-60(63)64)50-36-38-62-57-26-10-8-22-53(57)55-24-12-14-28-59(55)67(62)40-50/h1-44H.

What are the key properties of 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline?

6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline has a molecular weight of 937.16 g/mol, XLogP of 19.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline is sourced from PubChem (CID 89137414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).