11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine

C35H21NO — CID 59575296

IUPAC11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccncc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C35H21NO/c1-2-10-27-26(9-1)28-16-15-23(20-32(28)33-21-36-18-17-29(27)33)22-7-5-8-24(19-22)25-12-6-13-31-30-11-3-4-14-34(30)37-35(25)31/h1-21H
InChIKeyYGIZXDAUWDRVJM-UHFFFAOYSA-N
MW471.56 g/mol
LogP9.77
Rot. Bonds2

About 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine

11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine (PubChem CID 59575296) has the molecular formula C35H21NO and a molecular weight of 471.56 g/mol. Its IUPAC name is 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine
PubChem CID59575296
Molecular FormulaC35H21NO
Molecular Weight471.56 g/mol
Exact Mass471.16
IUPAC Name11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccncc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C35H21NO/c1-2-10-27-26(9-1)28-16-15-23(20-32(28)33-21-36-18-17-29(27)33)22-7-5-8-24(19-22)25-12-6-13-31-30-11-3-4-14-34(30)37-35(25)31/h1-21H
InChIKeyYGIZXDAUWDRVJM-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-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
3-(3-dibenzofuran-4-ylphenyl)-1-phenyl-2,7-naphthyridine
CID 118491237
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
5,10-di(dibenzofuran-4-yl)benzo[g]isoquinoline
CID 59184089
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
3-[3-dibenzofuran-3-yl-5-[7-[3,5-di(dibenzofuran-3-yl)phenyl]triphenylen-2-yl]phenyl]-6-(7-triphenylen-2-yldibenzothiophen-3-yl)dibenzofuran
CID 137458884

Frequently Asked Questions

What is the IUPAC name of 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine?
The IUPAC name of 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine (CID 59575296) is 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine.
What is the SMILES notation for 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine?
The canonical SMILES for 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine is c1cc(-c2ccc3c4ccccc4c4ccncc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine?
The InChIKey is YGIZXDAUWDRVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NO/c1-2-10-27-26(9-1)28-16-15-23(20-32(28)33-21-36-18-17-29(27)33)22-7-5-8-24(19-22)25-12-6-13-31-30-11-3-4-14-34(30)37-35(25)31/h1-21H.
What are the key properties of 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine?
11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine 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 11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine is sourced from PubChem (CID 59575296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).