2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol

C39H24N2O2 — CID 150000545

About 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol

2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol (PubChem CID 150000545) has the molecular formula C39H24N2O2 and a molecular weight of 552.63 g/mol. Its IUPAC name is 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol.

Molecular Properties

• Compound Name: 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol
• PubChem CID: 150000545
• Molecular Formula: C39H24N2O2
• Molecular Weight: 552.63 g/mol
• Exact Mass: 552.18
• IUPAC Name: 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol
• SMILES: Oc1cccc2ccc3ccc(-c4ccc5c(c4-c4ccc6ccc7cccc(O)c7c6n4)Cc4ccccc4-5)nc3c12
• InChI: InChI=1S/C39H24N2O2/c42-33-9-3-6-22-11-13-24-15-19-31(40-38(24)35(22)33)29-18-17-28-27-8-2-1-5-26(27)21-30(28)37(29)32-20-16-25-14-12-23-7-4-10-34(43)36(23)39(25)41-32/h1-20,42-43H,21H2
• InChIKey: DBEPAXDQEKNTPW-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 66.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.63
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol?

The IUPAC name of 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol (CID 150000545) is 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol.

What is the SMILES notation for 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol?

The canonical SMILES for 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol is Oc1cccc2ccc3ccc(-c4ccc5c(c4-c4ccc6ccc7cccc(O)c7c6n4)Cc4ccccc4-5)nc3c12.

What is the InChIKey of 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol?

The InChIKey is DBEPAXDQEKNTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O2/c42-33-9-3-6-22-11-13-24-15-19-31(40-38(24)35(22)33)29-18-17-28-27-8-2-1-5-26(27)21-30(28)37(29)32-20-16-25-14-12-23-7-4-10-34(43)36(23)39(25)41-32/h1-20,42-43H,21H2.

What are the key properties of 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol?

2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol has a molecular weight of 552.63 g/mol, XLogP of 9.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(10-hydroxybenzo[h]quinolin-2-yl)-9H-fluoren-2-yl]benzo[h]quinolin-10-ol is sourced from PubChem (CID 150000545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).