3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene

C50H28 — CID 59805129

IUPAC3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
SMILESc1ccc2cc3c(cc2c1)-c1cccc2c(-c4ccc5ccc(-c6ccc7c8c(cccc68)-c6cc8ccccc8cc6-7)cc5c4)ccc-3c12
InChIInChI=1S/C50H28/c1-3-9-32-27-47-43-21-19-37(39-11-5-13-41(49(39)43)45(47)25-30(32)7-1)34-17-15-29-16-18-35(24-36(29)23-34)38-20-22-44-48-28-33-10-4-2-8-31(33)26-46(48)42-14-6-12-40(38)50(42)44/h1-28H
InChIKeyYKXNNHDZEJOXOH-UHFFFAOYSA-N
MW628.77 g/mol
LogP14.08
Rot. Bonds2

About 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene

3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene (PubChem CID 59805129) has the molecular formula C50H28 and a molecular weight of 628.77 g/mol. Its IUPAC name is 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene.

Molecular Properties

Compound Name3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
PubChem CID59805129
Molecular FormulaC50H28
Molecular Weight628.77 g/mol
Exact Mass628.22
IUPAC Name3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
SMILESc1ccc2cc3c(cc2c1)-c1cccc2c(-c4ccc5ccc(-c6ccc7c8c(cccc68)-c6cc8ccccc8cc6-7)cc5c4)ccc-3c12
InChIInChI=1S/C50H28/c1-3-9-32-27-47-43-21-19-37(39-11-5-13-41(49(39)43)45(47)25-30(32)7-1)34-17-15-29-16-18-35(24-36(29)23-34)38-20-22-44-48-28-33-10-4-2-8-31(33)26-46(48)42-14-6-12-40(38)50(42)44/h1-28H
InChIKeyYKXNNHDZEJOXOH-UHFFFAOYSA-N
XLogP14.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.77
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
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
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
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
5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 155767823
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019

Frequently Asked Questions

What is the IUPAC name of 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene?
The IUPAC name of 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene (CID 59805129) is 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene.
What is the SMILES notation for 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene?
The canonical SMILES for 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene is c1ccc2cc3c(cc2c1)-c1cccc2c(-c4ccc5ccc(-c6ccc7c8c(cccc68)-c6cc8ccccc8cc6-7)cc5c4)ccc-3c12.
What is the InChIKey of 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene?
The InChIKey is YKXNNHDZEJOXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28/c1-3-9-32-27-47-43-21-19-37(39-11-5-13-41(49(39)43)45(47)25-30(32)7-1)34-17-15-29-16-18-35(24-36(29)23-34)38-20-22-44-48-28-33-10-4-2-8-31(33)26-46(48)42-14-6-12-40(38)50(42)44/h1-28H.
What are the key properties of 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene?
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene has a molecular weight of 628.77 g/mol, XLogP of 14.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene is sourced from PubChem (CID 59805129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).