10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline

C35H21NO — CID 146301174

IUPAC10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
SMILESc1ccc2c(-c3ccc4oc5cccc(-c6cccc7ccc8cccnc8c67)c5c4c3)cccc2c1
InChIInChI=1S/C35H21NO/c1-2-11-26-22(7-1)8-3-12-27(26)25-18-19-31-30(21-25)34-29(14-5-15-32(34)37-31)28-13-4-9-23-16-17-24-10-6-20-36-35(24)33(23)28/h1-21H
InChIKeyMERHCOLNAPFLHO-UHFFFAOYSA-N
MW471.56 g/mol
LogP9.77
Rot. Bonds2

About 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline

10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline (PubChem CID 146301174) has the molecular formula C35H21NO and a molecular weight of 471.56 g/mol. Its IUPAC name is 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
PubChem CID146301174
Molecular FormulaC35H21NO
Molecular Weight471.56 g/mol
Exact Mass471.16
IUPAC Name10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
SMILESc1ccc2c(-c3ccc4oc5cccc(-c6cccc7ccc8cccnc8c67)c5c4c3)cccc2c1
InChIInChI=1S/C35H21NO/c1-2-11-26-22(7-1)8-3-12-27(26)25-18-19-31-30(21-25)34-29(14-5-15-32(34)37-31)28-13-4-9-23-16-17-24-10-6-20-36-35(24)33(23)28/h1-21H
InChIKeyMERHCOLNAPFLHO-UHFFFAOYSA-N
XLogP9.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
CID 166041138
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
2-naphthalen-2-yl-4-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167182694
2-[9-[4-(2-isocyanophenyl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
CID 153277486
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 166742425
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
4-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-1-yl]benzonitrile
CID 146990897

Frequently Asked Questions

What is the IUPAC name of 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline?
The IUPAC name of 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline (CID 146301174) is 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline?
The canonical SMILES for 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline is c1ccc2c(-c3ccc4oc5cccc(-c6cccc7ccc8cccnc8c67)c5c4c3)cccc2c1.
What is the InChIKey of 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline?
The InChIKey is MERHCOLNAPFLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NO/c1-2-11-26-22(7-1)8-3-12-27(26)25-18-19-31-30(21-25)34-29(14-5-15-32(34)37-31)28-13-4-9-23-16-17-24-10-6-20-36-35(24)33(23)28/h1-21H.
What are the key properties of 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline?
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline has a molecular weight of 471.56 g/mol, XLogP of 9.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline is sourced from PubChem (CID 146301174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).