4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran

C46H26O3 — CID 176744232

IUPAC4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2cc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc4c5ccccc5oc4c3o2)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)41-26-38-36(25-37-30-15-9-11-21-40(30)48-45(37)46(38)49-41)44-34-18-6-4-16-32(34)43(33-17-5-7-19-35(33)44)28-22-23-31-29-14-8-10-20-39(29)47-42(31)24-28/h1-26H
InChIKeyHNFOAPORSLHNOE-UHFFFAOYSA-N
MW626.71 g/mol
LogP13.54
Rot. Bonds3

About 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran

4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran (PubChem CID 176744232) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran.

Molecular Properties

Compound Name4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran
PubChem CID176744232
Molecular FormulaC46H26O3
Molecular Weight626.71 g/mol
Exact Mass626.19
IUPAC Name4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2cc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc4c5ccccc5oc4c3o2)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)41-26-38-36(25-37-30-15-9-11-21-40(30)48-45(37)46(38)49-41)44-34-18-6-4-16-32(34)43(33-17-5-7-19-35(33)44)28-22-23-31-29-14-8-10-20-39(29)47-42(31)24-28/h1-26H
InChIKeyHNFOAPORSLHNOE-UHFFFAOYSA-N
XLogP13.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745684
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122425914
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran
CID 174307459
6-(10-bromoanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 167187045
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
2-(10-dibenzofuran-3-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176746338
7-(10-phenylanthracen-9-yl)-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 122425853
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The IUPAC name of 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran (CID 176744232) is 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran.
What is the SMILES notation for 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The canonical SMILES for 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran is c1ccc(-c2cc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc4c5ccccc5oc4c3o2)cc1.
What is the InChIKey of 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The InChIKey is HNFOAPORSLHNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-12-27(13-3-1)41-26-38-36(25-37-30-15-9-11-21-40(30)48-45(37)46(38)49-41)44-34-18-6-4-16-32(34)43(33-17-5-7-19-35(33)44)28-22-23-31-29-14-8-10-20-39(29)47-42(31)24-28/h1-26H.
What are the key properties of 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran has a molecular weight of 626.71 g/mol, XLogP of 13.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran is sourced from PubChem (CID 176744232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).