3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene

C40H24 — CID 166019533

IUPAC3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc6c7c(cccc57)-c5cc7ccccc7cc5-6)ccc4c3)ccc2c1
InChIInChI=1S/C40H24/c1-2-7-26-20-29(13-12-25(26)6-1)30-14-15-32-22-33(17-16-31(32)21-30)34-18-19-37-39-24-28-9-4-3-8-27(28)23-38(39)36-11-5-10-35(34)40(36)37/h1-24H
InChIKeyVOHMHAPMNWWAFW-UHFFFAOYSA-N
MW504.63 g/mol
LogP11.28
Rot. Bonds2

About 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene

3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene (PubChem CID 166019533) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene.

Molecular Properties

Compound Name3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
PubChem CID166019533
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Name3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc6c7c(cccc57)-c5cc7ccccc7cc5-6)ccc4c3)ccc2c1
InChIInChI=1S/C40H24/c1-2-7-26-20-29(13-12-25(26)6-1)30-14-15-32-22-33(17-16-31(32)21-30)34-18-19-37-39-24-28-9-4-3-8-27(28)23-38(39)36-11-5-10-35(34)40(36)37/h1-24H
InChIKeyVOHMHAPMNWWAFW-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline
CID 121287572
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
CID 144896373

Frequently Asked Questions

What is the IUPAC name of 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene?
The IUPAC name of 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene (CID 166019533) is 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene.
What is the SMILES notation for 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene?
The canonical SMILES for 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene is c1ccc2cc(-c3ccc4cc(-c5ccc6c7c(cccc57)-c5cc7ccccc7cc5-6)ccc4c3)ccc2c1.
What is the InChIKey of 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene?
The InChIKey is VOHMHAPMNWWAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24/c1-2-7-26-20-29(13-12-25(26)6-1)30-14-15-32-22-33(17-16-31(32)21-30)34-18-19-37-39-24-28-9-4-3-8-27(28)23-38(39)36-11-5-10-35(34)40(36)37/h1-24H.
What are the key properties of 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene?
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene has a molecular weight of 504.63 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene is sourced from PubChem (CID 166019533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).