7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene

C34H22F2 — CID 71142912

IUPAC7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
SMILESCc1ccc2c(-c3ccc(F)cc3)c3c(c(-c4ccc(F)cc4)c2c1)-c1cccc2c(C)ccc-3c12
InChIInChI=1S/C34H22F2/c1-19-6-16-26-29(18-19)31(22-10-14-24(36)15-11-22)33-27-5-3-4-25-20(2)7-17-28(32(25)27)34(33)30(26)21-8-12-23(35)13-9-21/h3-18H,1-2H3
InChIKeySWOQPSILGWCUDC-UHFFFAOYSA-N
MW468.55 g/mol
LogP9.87
Rot. Bonds2

About 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene

7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene (PubChem CID 71142912) has the molecular formula C34H22F2 and a molecular weight of 468.55 g/mol. Its IUPAC name is 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene.

Molecular Properties

Compound Name7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
PubChem CID71142912
Molecular FormulaC34H22F2
Molecular Weight468.55 g/mol
Exact Mass468.17
IUPAC Name7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
SMILESCc1ccc2c(-c3ccc(F)cc3)c3c(c(-c4ccc(F)cc4)c2c1)-c1cccc2c(C)ccc-3c12
InChIInChI=1S/C34H22F2/c1-19-6-16-26-29(18-19)31(22-10-14-24(36)15-11-22)33-27-5-3-4-25-20(2)7-17-28(32(25)27)34(33)30(26)21-8-12-23(35)13-9-21/h3-18H,1-2H3
InChIKeySWOQPSILGWCUDC-UHFFFAOYSA-N
XLogP9.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,12-bis(4-methoxyphenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142914
3,7,14,21,28,32,39,46-octakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4,6(29),7,9,11,13,15,17,19,21,23,25,27,30,32,34,36,38,40,42,44,46,48(52),49,53-heptacosaene
CID 140722712
8,22-bis(9,10-dimethyl-7,12-diphenylbenzo[k]fluoranthen-3-yl)-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
CID 163825678
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
7,12-bis(3,5-dimethylphenyl)-3,9-bis(3-methylphenyl)benzo[k]fluoranthene
CID 157207243
7,12-bis(2,5-dimethylphenyl)-3-phenylbenzo[k]fluoranthene
CID 123722611
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
8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)
CID 143462368
3,7,9-trimethylfluoranthene
CID 123365780
3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988793
5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-methyl-N,N-bis(2-methylphenyl)aniline
CID 144604884
2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene
CID 143048698

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene?
The IUPAC name of 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene (CID 71142912) is 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene.
What is the SMILES notation for 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene?
The canonical SMILES for 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene is Cc1ccc2c(-c3ccc(F)cc3)c3c(c(-c4ccc(F)cc4)c2c1)-c1cccc2c(C)ccc-3c12.
What is the InChIKey of 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene?
The InChIKey is SWOQPSILGWCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F2/c1-19-6-16-26-29(18-19)31(22-10-14-24(36)15-11-22)33-27-5-3-4-25-20(2)7-17-28(32(25)27)34(33)30(26)21-8-12-23(35)13-9-21/h3-18H,1-2H3.
What are the key properties of 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene?
7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene has a molecular weight of 468.55 g/mol, XLogP of 9.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene is sourced from PubChem (CID 71142912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).