3-(fluoranthen-3-ylmethyl)fluoranthene

C33H20 — CID 634480

IUPAC3-(fluoranthen-3-ylmethyl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(Cc4ccc5c6c(cccc46)-c4ccccc4-5)ccc-2c13
InChIInChI=1S/C33H20/c1-3-9-26-24(7-1)28-13-5-11-22-20(15-17-30(26)32(22)28)19-21-16-18-31-27-10-4-2-8-25(27)29-14-6-12-23(21)33(29)31/h1-18H,19H2
InChIKeyRBSRQQVBHXJZBB-UHFFFAOYSA-N
MW416.52 g/mol
LogP8.88
Rot. Bonds2

About 3-(fluoranthen-3-ylmethyl)fluoranthene

3-(fluoranthen-3-ylmethyl)fluoranthene (PubChem CID 634480) has the molecular formula C33H20 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(fluoranthen-3-ylmethyl)fluoranthene.

Molecular Properties

Compound Name3-(fluoranthen-3-ylmethyl)fluoranthene
PubChem CID634480
Molecular FormulaC33H20
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name3-(fluoranthen-3-ylmethyl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(Cc4ccc5c6c(cccc46)-c4ccccc4-5)ccc-2c13
InChIInChI=1S/C33H20/c1-3-9-26-24(7-1)28-13-5-11-22-20(15-17-30(26)32(22)28)19-21-16-18-31-27-10-4-2-8-25(27)29-14-6-12-23(21)33(29)31/h1-18H,19H2
InChIKeyRBSRQQVBHXJZBB-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-ethylfluoranthene-8-carbaldehyde
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1-(2-methylpropyl)-4,5-diphenylnaphthalene
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3-(2-methylbutan-2-yl)fluoranthene
CID 160971075
CID 66760372
CID 66760372
3-nitrosofluoranthene
CID 10036873
3-propan-2-ylfluoranthene
CID 20607613
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
CID 59728635
21-bromohexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(25),2,4,6,8,10,12,14(26),15,17,19,21,23-tridecaene
CID 170265949
(2R)-2-amino-2-fluoranthen-3-ylethanol
CID 165437836

Frequently Asked Questions

What is the IUPAC name of 3-(fluoranthen-3-ylmethyl)fluoranthene?
The IUPAC name of 3-(fluoranthen-3-ylmethyl)fluoranthene (CID 634480) is 3-(fluoranthen-3-ylmethyl)fluoranthene.
What is the SMILES notation for 3-(fluoranthen-3-ylmethyl)fluoranthene?
The canonical SMILES for 3-(fluoranthen-3-ylmethyl)fluoranthene is c1ccc2c(c1)-c1cccc3c(Cc4ccc5c6c(cccc46)-c4ccccc4-5)ccc-2c13.
What is the InChIKey of 3-(fluoranthen-3-ylmethyl)fluoranthene?
The InChIKey is RBSRQQVBHXJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20/c1-3-9-26-24(7-1)28-13-5-11-22-20(15-17-30(26)32(22)28)19-21-16-18-31-27-10-4-2-8-25(27)29-14-6-12-23(21)33(29)31/h1-18H,19H2.
What are the key properties of 3-(fluoranthen-3-ylmethyl)fluoranthene?
3-(fluoranthen-3-ylmethyl)fluoranthene has a molecular weight of 416.52 g/mol, XLogP of 8.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoranthen-3-ylmethyl)fluoranthene is sourced from PubChem (CID 634480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).