9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene

C54H32 — CID 59326181

IUPAC9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc24)-c2cccc4c(-c5ccccc5)ccc-3c24)cc1
InChIInChI=1S/C54H32/c1-4-14-33(15-5-1)39-28-29-46-52-42(39)24-13-25-45(52)53-51(35-18-8-3-9-19-35)48-31-36(26-27-44(48)50(54(46)53)34-16-6-2-7-17-34)38-30-37-20-12-23-43-40-21-10-11-22-41(40)47(32-38)49(37)43/h1-32H
InChIKeyOVYAPCZUNOELSE-UHFFFAOYSA-N
MW680.85 g/mol
LogP15.11
Rot. Bonds4

About 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene

9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene (PubChem CID 59326181) has the molecular formula C54H32 and a molecular weight of 680.85 g/mol. Its IUPAC name is 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
PubChem CID59326181
Molecular FormulaC54H32
Molecular Weight680.85 g/mol
Exact Mass680.25
IUPAC Name9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc24)-c2cccc4c(-c5ccccc5)ccc-3c24)cc1
InChIInChI=1S/C54H32/c1-4-14-33(15-5-1)39-28-29-46-52-42(39)24-13-25-45(52)53-51(35-18-8-3-9-19-35)48-31-36(26-27-44(48)50(54(46)53)34-16-6-2-7-17-34)38-30-37-20-12-23-43-40-21-10-11-22-41(40)47(32-38)49(37)43/h1-32H
InChIKeyOVYAPCZUNOELSE-UHFFFAOYSA-N
XLogP15.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
9-tert-butyl-3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58390207
18-perylen-3-yl-3,10-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16(21),17,19,22(26),23-tridecaene
CID 145350875
2,9-diphenylfluoranthene
CID 174565991
12-phenyl-4-[3-phenyl-5-[3-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171046288

Frequently Asked Questions

What is the IUPAC name of 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene?
The IUPAC name of 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene (CID 59326181) is 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene.
What is the SMILES notation for 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene?
The canonical SMILES for 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc24)-c2cccc4c(-c5ccccc5)ccc-3c24)cc1.
What is the InChIKey of 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene?
The InChIKey is OVYAPCZUNOELSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32/c1-4-14-33(15-5-1)39-28-29-46-52-42(39)24-13-25-45(52)53-51(35-18-8-3-9-19-35)48-31-36(26-27-44(48)50(54(46)53)34-16-6-2-7-17-34)38-30-37-20-12-23-43-40-21-10-11-22-41(40)47(32-38)49(37)43/h1-32H.
What are the key properties of 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene?
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene has a molecular weight of 680.85 g/mol, XLogP of 15.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene is sourced from PubChem (CID 59326181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).