2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran

C42H24O — CID 129100719

IUPAC2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3cc(-c4ccc5oc6ccc(-c7ccc8ccc9ccccc9c8c7)cc6c5c4)cc-2c13
InChIInChI=1S/C42H24O/c1-2-8-32-25(6-1)12-13-26-14-15-27(21-36(26)32)28-16-18-40-37(22-28)38-23-29(17-19-41(38)43-40)31-20-30-7-5-11-35-33-9-3-4-10-34(33)39(24-31)42(30)35/h1-24H
InChIKeyMVGYQMMZTPIAPA-UHFFFAOYSA-N
MW544.65 g/mol
LogP12.03
Rot. Bonds2

About 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran

2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran (PubChem CID 129100719) has the molecular formula C42H24O and a molecular weight of 544.65 g/mol. Its IUPAC name is 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran.

Molecular Properties

Compound Name2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
PubChem CID129100719
Molecular FormulaC42H24O
Molecular Weight544.65 g/mol
Exact Mass544.18
IUPAC Name2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3cc(-c4ccc5oc6ccc(-c7ccc8ccc9ccccc9c8c7)cc6c5c4)cc-2c13
InChIInChI=1S/C42H24O/c1-2-8-32-25(6-1)12-13-26-14-15-27(21-36(26)32)28-16-18-40-37(22-28)38-23-29(17-19-41(38)43-40)31-20-30-7-5-11-35-33-9-3-4-10-34(33)39(24-31)42(30)35/h1-24H
InChIKeyMVGYQMMZTPIAPA-UHFFFAOYSA-N
XLogP12.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 512.03
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

1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
CID 129100164
8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene
CID 168812619
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-[3-(5-phenylbenzo[k]fluoranthen-2-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 166019883
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
8-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 139341199
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
3-N-(3-fluoranthen-2-ylphenyl)-3-N-(3-phenanthren-3-ylphenyl)benzene-1,3-diamine
CID 166875512
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778

Frequently Asked Questions

What is the IUPAC name of 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran?
The IUPAC name of 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran (CID 129100719) is 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran.
What is the SMILES notation for 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran?
The canonical SMILES for 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran is c1ccc2c(c1)-c1cccc3cc(-c4ccc5oc6ccc(-c7ccc8ccc9ccccc9c8c7)cc6c5c4)cc-2c13.
What is the InChIKey of 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran?
The InChIKey is MVGYQMMZTPIAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O/c1-2-8-32-25(6-1)12-13-26-14-15-27(21-36(26)32)28-16-18-40-37(22-28)38-23-29(17-19-41(38)43-40)31-20-30-7-5-11-35-33-9-3-4-10-34(33)39(24-31)42(30)35/h1-24H.
What are the key properties of 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran?
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran has a molecular weight of 544.65 g/mol, XLogP of 12.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran is sourced from PubChem (CID 129100719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).