3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene

C38H22F2 — CID 58988793

IUPAC3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
SMILESFc1cc(F)cc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C38H22F2/c39-26-20-25(21-27(40)22-26)28-18-19-33-36-29(28)16-9-17-32(36)37-34(23-10-3-1-4-11-23)30-14-7-8-15-31(30)35(38(33)37)24-12-5-2-6-13-24/h1-22H
InChIKeyIMGRAFBWXDDNHT-UHFFFAOYSA-N
MW516.59 g/mol
LogP10.92
Rot. Bonds3

About 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene

3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58988793) has the molecular formula C38H22F2 and a molecular weight of 516.59 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58988793
Molecular FormulaC38H22F2
Molecular Weight516.59 g/mol
Exact Mass516.17
IUPAC Name3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
SMILESFc1cc(F)cc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C38H22F2/c39-26-20-25(21-27(40)22-26)28-18-19-33-36-29(28)16-9-17-32(36)37-34(23-10-3-1-4-11-23)30-14-7-8-15-31(30)35(38(33)37)24-12-5-2-6-13-24/h1-22H
InChIKeyIMGRAFBWXDDNHT-UHFFFAOYSA-N
XLogP10.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.59
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
7,25-bis(3-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,25-bis(4-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(3-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,32-bis(4-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene
CID 158165747
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 121401505
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988852

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene (CID 58988793) is 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene is Fc1cc(F)cc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is IMGRAFBWXDDNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F2/c39-26-20-25(21-27(40)22-26)28-18-19-33-36-29(28)16-9-17-32(36)37-34(23-10-3-1-4-11-23)30-14-7-8-15-31(30)35(38(33)37)24-12-5-2-6-13-24/h1-22H.
What are the key properties of 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene?
3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 516.59 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58988793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).