1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran

C46H28O2 — CID 176743575

IUPAC1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6cc7c(-c8ccccc8)coc7cc6c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C46H28O2/c1-3-12-29(13-4-1)31-16-11-17-32(24-31)45-34-18-7-9-20-36(34)46(37-21-10-8-19-35(37)45)33-22-23-42-38(25-33)39-26-43-40(27-44(39)48-42)41(28-47-43)30-14-5-2-6-15-30/h1-28H
InChIKeyNABFOZYXTIDRGS-UHFFFAOYSA-N
MW612.73 g/mol
LogP13.31
Rot. Bonds4

About 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran

1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176743575) has the molecular formula C46H28O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176743575
Molecular FormulaC46H28O2
Molecular Weight612.73 g/mol
Exact Mass612.21
IUPAC Name1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6cc7c(-c8ccccc8)coc7cc6c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C46H28O2/c1-3-12-29(13-4-1)31-16-11-17-32(24-31)45-34-18-7-9-20-36(34)46(37-21-10-8-19-35(37)45)33-22-23-42-38(25-33)39-26-43-40(27-44(39)48-42)41(28-47-43)30-14-5-2-6-15-30/h1-28H
InChIKeyNABFOZYXTIDRGS-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

6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176742770
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176744343
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
3,5-diphenyl-1-benzofuran
CID 66988357
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
1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744543
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146460952
1-phenyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176743648
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran (CID 176743575) is 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6cc7c(-c8ccccc8)coc7cc6c5c4)c4ccccc34)c2)cc1.
What is the InChIKey of 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is NABFOZYXTIDRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O2/c1-3-12-29(13-4-1)31-16-11-17-32(24-31)45-34-18-7-9-20-36(34)46(37-21-10-8-19-35(37)45)33-22-23-42-38(25-33)39-26-43-40(27-44(39)48-42)41(28-47-43)30-14-5-2-6-15-30/h1-28H.
What are the key properties of 1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-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-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176743575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).