2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran

C46H26O — CID 129100575

IUPAC2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5oc6c(-c7ccc8c9ccccc9c9ccccc9c8c7)cccc6c5c4)ccc-2c13
InChIInChI=1S/C46H26O/c1-2-11-33-31(9-1)32-10-3-6-14-36(32)42-25-28(19-21-37(33)42)30-15-7-18-41-43-26-27(20-24-44(43)47-46(30)41)29-22-23-40-35-13-5-4-12-34(35)39-17-8-16-38(29)45(39)40/h1-26H
InChIKeyNLVODEQTSOLQRH-UHFFFAOYSA-N
MW594.71 g/mol
LogP13.18
Rot. Bonds2

About 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran

2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran (PubChem CID 129100575) has the molecular formula C46H26O and a molecular weight of 594.71 g/mol. Its IUPAC name is 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran.

Molecular Properties

Compound Name2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
PubChem CID129100575
Molecular FormulaC46H26O
Molecular Weight594.71 g/mol
Exact Mass594.20
IUPAC Name2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5oc6c(-c7ccc8c9ccccc9c9ccccc9c8c7)cccc6c5c4)ccc-2c13
InChIInChI=1S/C46H26O/c1-2-11-33-31(9-1)32-10-3-6-14-36(32)42-25-28(19-21-37(33)42)30-15-7-18-41-43-26-27(20-24-44(43)47-46(30)41)29-22-23-40-35-13-5-4-12-34(35)39-17-8-16-38(29)45(39)40/h1-26H
InChIKeyNLVODEQTSOLQRH-UHFFFAOYSA-N
XLogP13.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
CID 129100164
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
CID 159150176
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493

Frequently Asked Questions

What is the IUPAC name of 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran?
The IUPAC name of 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran (CID 129100575) is 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran.
What is the SMILES notation for 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran?
The canonical SMILES for 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4ccc5oc6c(-c7ccc8c9ccccc9c9ccccc9c8c7)cccc6c5c4)ccc-2c13.
What is the InChIKey of 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran?
The InChIKey is NLVODEQTSOLQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O/c1-2-11-33-31(9-1)32-10-3-6-14-36(32)42-25-28(19-21-37(33)42)30-15-7-18-41-43-26-27(20-24-44(43)47-46(30)41)29-22-23-40-35-13-5-4-12-34(35)39-17-8-16-38(29)45(39)40/h1-26H.
What are the key properties of 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran?
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran has a molecular weight of 594.71 g/mol, XLogP of 13.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran is sourced from PubChem (CID 129100575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).