3-nitrosofluoranthene

C16H9NO — CID 10036873

IUPAC3-nitrosofluoranthene
SMILESO=Nc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C16H9NO/c18-17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKeyJDRWBGLXHBTXNY-UHFFFAOYSA-N
MW231.25 g/mol
LogP4.89
Rot. Bonds1

About 3-nitrosofluoranthene

3-nitrosofluoranthene (PubChem CID 10036873) has the molecular formula C16H9NO and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-nitrosofluoranthene.

Molecular Properties

Compound Name3-nitrosofluoranthene
PubChem CID10036873
Molecular FormulaC16H9NO
Molecular Weight231.25 g/mol
Exact Mass231.07
IUPAC Name3-nitrosofluoranthene
SMILESO=Nc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C16H9NO/c18-17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKeyJDRWBGLXHBTXNY-UHFFFAOYSA-N
XLogP4.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(fluoranthen-3-ylmethyl)fluoranthene
CID 634480
ethane;fluoranthene;triphenylene
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3-(2-bromophenyl)fluoranthene
CID 58390376
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
fluoranthene
CID 139203734
3-propan-2-ylfluoranthene
CID 20607613
3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
CID 59728635
decacyclo[22.9.2.17,11.02,20.04,18.06,16.021,34.025,30.031,35.015,36]hexatriaconta-1(34),2,4,6(16),7,9,11(36),12,14,17,19,21,23,25,27,29,31(35),32-octadecaene
CID 150178057
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine
CID 160640226
4-[12-(6-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)chrysen-6-yl]hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
CID 59330314
3-(2-methylbutan-2-yl)fluoranthene
CID 160971075

Frequently Asked Questions

What is the IUPAC name of 3-nitrosofluoranthene?
The IUPAC name of 3-nitrosofluoranthene (CID 10036873) is 3-nitrosofluoranthene.
What is the SMILES notation for 3-nitrosofluoranthene?
The canonical SMILES for 3-nitrosofluoranthene is O=Nc1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-nitrosofluoranthene?
The InChIKey is JDRWBGLXHBTXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO/c18-17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H.
What are the key properties of 3-nitrosofluoranthene?
3-nitrosofluoranthene has a molecular weight of 231.25 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosofluoranthene is sourced from PubChem (CID 10036873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).