1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran

C42H24O — CID 129100193

IUPAC1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)ccc1-2
InChIInChI=1S/C42H24O/c1-2-9-31-25(6-1)14-15-26-16-17-28(22-36(26)31)29-19-21-39-38(23-29)42-32(10-5-13-40(42)43-39)30-18-20-33-34-11-3-7-27-8-4-12-35(41(27)34)37(33)24-30/h1-24H
InChIKeyCUFMOCSVPBBCJK-UHFFFAOYSA-N
MW544.65 g/mol
LogP12.03
Rot. Bonds2

About 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran

1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran (PubChem CID 129100193) has the molecular formula C42H24O and a molecular weight of 544.65 g/mol. Its IUPAC name is 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran.

Molecular Properties

Compound Name1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
PubChem CID129100193
Molecular FormulaC42H24O
Molecular Weight544.65 g/mol
Exact Mass544.18
IUPAC Name1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)ccc1-2
InChIInChI=1S/C42H24O/c1-2-9-31-25(6-1)14-15-26-16-17-28(22-36(26)31)29-19-21-39-38(23-29)42-32(10-5-13-40(42)43-39)30-18-20-33-34-11-3-7-27-8-4-12-35(41(27)34)37(33)24-30/h1-24H
InChIKeyCUFMOCSVPBBCJK-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

8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
CID 129100719
8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene
CID 168812619
2-[4-(8-phenanthren-3-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946132
26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene
CID 164741587
2-fluoranthen-8-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine
CID 166848284
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788
N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
CID 169315832
1-phenyl-8-pyren-1-yldibenzofuran
CID 170658138
6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
CID 129100164

Frequently Asked Questions

What is the IUPAC name of 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran?
The IUPAC name of 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran (CID 129100193) is 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran.
What is the SMILES notation for 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran?
The canonical SMILES for 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran is c1cc2c3c(cccc3c1)-c1cc(-c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)ccc1-2.
What is the InChIKey of 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran?
The InChIKey is CUFMOCSVPBBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O/c1-2-9-31-25(6-1)14-15-26-16-17-28(22-36(26)31)29-19-21-39-38(23-29)42-32(10-5-13-40(42)43-39)30-18-20-33-34-11-3-7-27-8-4-12-35(41(27)34)37(33)24-30/h1-24H.
What are the key properties of 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran?
1-fluoranthen-8-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 1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran is sourced from PubChem (CID 129100193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).