3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol

C38H24N2O — CID 136672961

IUPAC3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol
SMILESOc1c(-c2ccc3ccc4cccnc4c3n2)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C38H24N2O/c41-38-32(33-21-19-27-17-16-26-13-8-22-39-36(26)37(27)40-33)23-28-12-5-7-15-30(28)35(38)34-29-14-6-4-11-25(29)18-20-31(34)24-9-2-1-3-10-24/h1-23,41H
InChIKeyVWWAASXRARXERE-UHFFFAOYSA-N
MW524.62 g/mol
LogP9.80
Rot. Bonds3

About 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol

3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol (PubChem CID 136672961) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol
PubChem CID136672961
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol
SMILESOc1c(-c2ccc3ccc4cccnc4c3n2)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C38H24N2O/c41-38-32(33-21-19-27-17-16-26-13-8-22-39-36(26)37(27)40-33)23-28-12-5-7-15-30(28)35(38)34-29-14-6-4-11-25(29)18-20-31(34)24-9-2-1-3-10-24/h1-23,41H
InChIKeyVWWAASXRARXERE-UHFFFAOYSA-N
XLogP9.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 59.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol (CID 136672961) is 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol is Oc1c(-c2ccc3ccc4cccnc4c3n2)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.
What is the InChIKey of 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is VWWAASXRARXERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c41-38-32(33-21-19-27-17-16-26-13-8-22-39-36(26)37(27)40-33)23-28-12-5-7-15-30(28)35(38)34-29-14-6-4-11-25(29)18-20-31(34)24-9-2-1-3-10-24/h1-23,41H.
What are the key properties of 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol?
3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 524.62 g/mol, XLogP of 9.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,10-phenanthrolin-2-yl)-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 136672961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).