6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran

C42H24O — CID 129100164

IUPAC6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5c4oc4ccc(-c6ccc7ccc8ccccc8c7c6)cc45)ccc-2c13
InChIInChI=1S/C42H24O/c1-2-8-29-25(7-1)15-16-26-17-18-27(23-38(26)29)28-19-22-40-39(24-28)37-14-6-13-36(42(37)43-40)32-20-21-35-31-10-4-3-9-30(31)33-11-5-12-34(32)41(33)35/h1-24H
InChIKeyUKIWUFLBEZUIIP-UHFFFAOYSA-N
MW544.65 g/mol
LogP12.03
Rot. Bonds2

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

6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran (PubChem CID 129100164) has the molecular formula C42H24O and a molecular weight of 544.65 g/mol. Its IUPAC name is 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran.

Molecular Properties

Compound Name6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
PubChem CID129100164
Molecular FormulaC42H24O
Molecular Weight544.65 g/mol
Exact Mass544.18
IUPAC Name6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5c4oc4ccc(-c6ccc7ccc8ccccc8c7c6)cc45)ccc-2c13
InChIInChI=1S/C42H24O/c1-2-8-29-25(7-1)15-16-26-17-18-27(23-38(26)29)28-19-22-40-39(24-28)37-14-6-13-36(42(37)43-40)32-20-21-35-31-10-4-3-9-30(31)33-11-5-12-34(32)41(33)35/h1-24H
InChIKeyUKIWUFLBEZUIIP-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'}

Analyze 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
CID 129100719
N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline
CID 166875413
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
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
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 139341196
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-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(19),15,17-nonaene
CID 159209602
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711

Frequently Asked Questions

What is the IUPAC name of 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran?
The IUPAC name of 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran (CID 129100164) is 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran.
What is the SMILES notation for 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran?
The canonical SMILES for 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4cccc5c4oc4ccc(-c6ccc7ccc8ccccc8c7c6)cc45)ccc-2c13.
What is the InChIKey of 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran?
The InChIKey is UKIWUFLBEZUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O/c1-2-8-29-25(7-1)15-16-26-17-18-27(23-38(26)29)28-19-22-40-39(24-28)37-14-6-13-36(42(37)43-40)32-20-21-35-31-10-4-3-9-30(31)33-11-5-12-34(32)41(33)35/h1-24H.
What are the key properties of 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran?
6-fluoranthen-3-yl-2-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 6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran is sourced from PubChem (CID 129100164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).