1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran

C46H28O2 — CID 176745098

IUPAC1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4oc4c5ccc5occ(-c6ccccc6)c54)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H28O2/c1-3-12-29(13-4-1)40-28-47-41-27-26-39-38-21-11-20-33(45(38)48-46(39)44(40)41)30-22-24-32(25-23-30)43-36-18-9-7-16-34(36)42(31-14-5-2-6-15-31)35-17-8-10-19-37(35)43/h1-28H
InChIKeyGXKXAQIFONBRSY-UHFFFAOYSA-N
MW612.73 g/mol
LogP13.31
Rot. Bonds4

About 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran

1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran (PubChem CID 176745098) has the molecular formula C46H28O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran.

Molecular Properties

Compound Name1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran
PubChem CID176745098
Molecular FormulaC46H28O2
Molecular Weight612.73 g/mol
Exact Mass612.21
IUPAC Name1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4oc4c5ccc5occ(-c6ccccc6)c54)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H28O2/c1-3-12-29(13-4-1)40-28-47-41-27-26-39-38-21-11-20-33(45(38)48-46(39)44(40)41)30-22-24-32(25-23-30)43-36-18-9-7-16-34(36)42(31-14-5-2-6-15-31)35-17-8-10-19-37(35)43/h1-28H
InChIKeyGXKXAQIFONBRSY-UHFFFAOYSA-N
XLogP13.31
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 513.31
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

1-phenyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176743648
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176744343
9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
CID 176744049
7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-1-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745291
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
1-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176744419
9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743237
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran
CID 58262014
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744305
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran?
The IUPAC name of 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran (CID 176745098) is 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran.
What is the SMILES notation for 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran?
The canonical SMILES for 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4oc4c5ccc5occ(-c6ccccc6)c54)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran?
The InChIKey is GXKXAQIFONBRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O2/c1-3-12-29(13-4-1)40-28-47-41-27-26-39-38-21-11-20-33(45(38)48-46(39)44(40)41)30-22-24-32(25-23-30)43-36-18-9-7-16-34(36)42(31-14-5-2-6-15-31)35-17-8-10-19-37(35)43/h1-28H.
What are the key properties of 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran?
1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran has a molecular weight of 612.73 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran is sourced from PubChem (CID 176745098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).