11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline

C41H25NO — CID 138662527

IUPAC11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5nc5oc6ccccc6c45)c3)c3ccccc23)cc1
InChIInChI=1S/C41H25NO/c1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)39-33-21-8-10-23-35(33)42-41-40(39)34-22-9-11-24-36(34)43-41/h1-25H
InChIKeyFOVYGNZWYYZJJM-UHFFFAOYSA-N
MW547.66 g/mol
LogP11.44
Rot. Bonds3

About 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline

11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 138662527) has the molecular formula C41H25NO and a molecular weight of 547.66 g/mol. Its IUPAC name is 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
PubChem CID138662527
Molecular FormulaC41H25NO
Molecular Weight547.66 g/mol
Exact Mass547.19
IUPAC Name11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5nc5oc6ccccc6c45)c3)c3ccccc23)cc1
InChIInChI=1S/C41H25NO/c1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)39-33-21-8-10-23-35(33)42-41-40(39)34-22-9-11-24-36(34)43-41/h1-25H
InChIKeyFOVYGNZWYYZJJM-UHFFFAOYSA-N
XLogP11.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138661799
11-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 159018591
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
CID 159434078
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
11-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 159679472
11-[4-(3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138662870
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 159598510
11-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;3-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 161233622
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662837
2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586

Frequently Asked Questions

What is the IUPAC name of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline (CID 138662527) is 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline is c1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5nc5oc6ccccc6c45)c3)c3ccccc23)cc1.
What is the InChIKey of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is FOVYGNZWYYZJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NO/c1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)39-33-21-8-10-23-35(33)42-41-40(39)34-22-9-11-24-36(34)43-41/h1-25H.
What are the key properties of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline?
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 547.66 g/mol, XLogP of 11.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 138662527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).