7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline

C41H25NO — CID 121340878

IUPAC7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6cc7cnccc7cc6c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C41H25NO/c1-2-9-26(10-3-1)27-11-8-12-29(21-27)40-32-13-4-6-15-34(32)41(35-16-7-5-14-33(35)40)30-17-18-38-36(23-30)37-22-28-19-20-42-25-31(28)24-39(37)43-38/h1-25H
InChIKeyZWBZRRLFBIUMQV-UHFFFAOYSA-N
MW547.66 g/mol
LogP11.44
Rot. Bonds3

About 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline

7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline (PubChem CID 121340878) has the molecular formula C41H25NO and a molecular weight of 547.66 g/mol. Its IUPAC name is 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline.

Molecular Properties

Compound Name7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline
PubChem CID121340878
Molecular FormulaC41H25NO
Molecular Weight547.66 g/mol
Exact Mass547.19
IUPAC Name7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6cc7cnccc7cc6c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C41H25NO/c1-2-9-26(10-3-1)27-11-8-12-29(21-27)40-32-13-4-6-15-34(32)41(35-16-7-5-14-33(35)40)30-17-18-38-36(23-30)37-22-28-19-20-42-25-31(28)24-39(37)43-38/h1-25H
InChIKeyZWBZRRLFBIUMQV-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

2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
CID 165025337
CID 165025337
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 159104776
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-4,6-diphenylpyrimidine
CID 118503439
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835

Frequently Asked Questions

What is the IUPAC name of 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline?
The IUPAC name of 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline (CID 121340878) is 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline.
What is the SMILES notation for 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline?
The canonical SMILES for 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6cc7cnccc7cc6c5c4)c4ccccc34)c2)cc1.
What is the InChIKey of 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline?
The InChIKey is ZWBZRRLFBIUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NO/c1-2-9-26(10-3-1)27-11-8-12-29(21-27)40-32-13-4-6-15-34(32)41(35-16-7-5-14-33(35)40)30-17-18-38-36(23-30)37-22-28-19-20-42-25-31(28)24-39(37)43-38/h1-25H.
What are the key properties of 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline?
7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline 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 7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline is sourced from PubChem (CID 121340878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).