4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran

C54H30O2 — CID 170939967

IUPAC4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2ccc(-c4cccc5oc6ccccc6c45)c4ccccc24)ccc(-c2ccc4ccc5cccc6ccc2c4c56)c13
InChIInChI=1S/C54H30O2/c1-2-10-35-30-49-46(29-34(35)9-1)53-43(40-23-21-33-20-19-31-11-7-12-32-22-24-42(40)51(33)50(31)32)27-28-44(54(53)56-49)39-26-25-38(36-13-3-4-14-37(36)39)41-16-8-18-48-52(41)45-15-5-6-17-47(45)55-48/h1-30H
InChIKeyWIQPSGPVXDLWBL-UHFFFAOYSA-N
MW710.83 g/mol
LogP15.69
Rot. Bonds3

About 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran

4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran (PubChem CID 170939967) has the molecular formula C54H30O2 and a molecular weight of 710.83 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
PubChem CID170939967
Molecular FormulaC54H30O2
Molecular Weight710.83 g/mol
Exact Mass710.22
IUPAC Name4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2ccc(-c4cccc5oc6ccccc6c45)c4ccccc24)ccc(-c2ccc4ccc5cccc6ccc2c4c56)c13
InChIInChI=1S/C54H30O2/c1-2-10-35-30-49-46(29-34(35)9-1)53-43(40-23-21-33-20-19-31-11-7-12-32-22-24-42(40)51(33)50(31)32)27-28-44(54(53)56-49)39-26-25-38(36-13-3-4-14-37(36)39)41-16-8-18-48-52(41)45-15-5-6-17-47(45)55-48/h1-30H
InChIKeyWIQPSGPVXDLWBL-UHFFFAOYSA-N
XLogP15.69
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.83
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-2-yl-8-pyren-1-yldibenzofuran;4-dibenzofuran-2-yl-1-pyren-1-yldibenzofuran;2-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;2-(5-pyren-1-ylnaphthalen-1-yl)dibenzofuran;1-(3-pyren-1-ylphenyl)naphtho[2,3-b][1]benzofuran;7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 160824717
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
4-benzo[g]phenanthren-3-yl-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940016
1-[10-(2-pyren-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454341
1-phenanthren-1-yl-3-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170939782
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 174168113
7-(6-phenylpyren-1-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171575655
4-naphtho[2,1-b][1]benzothiol-10-yl-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940458
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 170017177
2-naphthalen-1-yl-4-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940252
7-pyren-1-yl-10-(4-pyren-1-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939904
1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran
CID 170363843

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran (CID 170939967) is 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran is c1ccc2cc3c(cc2c1)oc1c(-c2ccc(-c4cccc5oc6ccccc6c45)c4ccccc24)ccc(-c2ccc4ccc5cccc6ccc2c4c56)c13.
What is the InChIKey of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran?
The InChIKey is WIQPSGPVXDLWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O2/c1-2-10-35-30-49-46(29-34(35)9-1)53-43(40-23-21-33-20-19-31-11-7-12-32-22-24-42(40)51(33)50(31)32)27-28-44(54(53)56-49)39-26-25-38(36-13-3-4-14-37(36)39)41-16-8-18-48-52(41)45-15-5-6-17-47(45)55-48/h1-30H.
What are the key properties of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran?
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran has a molecular weight of 710.83 g/mol, XLogP of 15.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 170939967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).