1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline

C178H108F4N4 — CID 160554563

IUPAC1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline
SMILESCc1ncc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc12.FC(F)(F)c1ccc(-c2cc3ccccc3c(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.Fc1ccc(-c2cc3ccccc3c(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cncc5ccccc45)c4cccc-3c24)cc1
InChIInChI=1S/C48H28F3N.C47H28FN.C42H27N.C41H25N/c49-48(50,51)33-24-22-29(23-25-33)41-28-32-16-7-8-17-34(32)47(52-41)38-26-27-40-44-37(38)20-11-21-39(44)45-42(30-12-3-1-4-13-30)35-18-9-10-19-36(35)43(46(40)45)31-14-5-2-6-15-31;48-33-24-22-29(23-25-33)41-28-32-16-7-8-17-34(32)47(49-41)38-26-27-40-44-37(38)20-11-21-39(44)45-42(30-12-3-1-4-13-30)35-18-9-10-19-36(35)43(46(40)45)31-14-5-2-6-15-31;1-26-29-17-8-9-18-30(29)37(25-43-26)31-23-24-36-40-32(31)21-12-22-35(40)41-38(27-13-4-2-5-14-27)33-19-10-11-20-34(33)39(42(36)41)28-15-6-3-7-16-28;1-3-12-26(13-4-1)37-32-18-9-10-19-33(32)38(27-14-5-2-6-15-27)41-35-23-22-30(31-20-11-21-34(39(31)35)40(37)41)36-25-42-24-28-16-7-8-17-29(28)36/h1-28H;1-28H;2-25H,1H3;1-25H
InChIKeyQYMWXWZZNXNVEE-UHFFFAOYSA-N
MW2378.84 g/mol
LogP49.56
Rot. Bonds14

About 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline

1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline (PubChem CID 160554563) has the molecular formula C178H108F4N4 and a molecular weight of 2378.84 g/mol. Its IUPAC name is 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline.

Molecular Properties

Compound Name1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline
PubChem CID160554563
Molecular FormulaC178H108F4N4
Molecular Weight2378.84 g/mol
Exact Mass2376.85
IUPAC Name1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline
SMILESCc1ncc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc12.FC(F)(F)c1ccc(-c2cc3ccccc3c(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.Fc1ccc(-c2cc3ccccc3c(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cncc5ccccc45)c4cccc-3c24)cc1
InChIInChI=1S/C48H28F3N.C47H28FN.C42H27N.C41H25N/c49-48(50,51)33-24-22-29(23-25-33)41-28-32-16-7-8-17-34(32)47(52-41)38-26-27-40-44-37(38)20-11-21-39(44)45-42(30-12-3-1-4-13-30)35-18-9-10-19-36(35)43(46(40)45)31-14-5-2-6-15-31;48-33-24-22-29(23-25-33)41-28-32-16-7-8-17-34(32)47(49-41)38-26-27-40-44-37(38)20-11-21-39(44)45-42(30-12-3-1-4-13-30)35-18-9-10-19-36(35)43(46(40)45)31-14-5-2-6-15-31;1-26-29-17-8-9-18-30(29)37(25-43-26)31-23-24-36-40-32(31)21-12-22-35(40)41-38(27-13-4-2-5-14-27)33-19-10-11-20-34(33)39(42(36)41)28-15-6-3-7-16-28;1-3-12-26(13-4-1)37-32-18-9-10-19-33(32)38(27-14-5-2-6-15-27)41-35-23-22-30(31-20-11-21-34(39(31)35)40(37)41)36-25-42-24-28-16-7-8-17-29(28)36/h1-28H;1-28H;2-25H,1H3;1-25H
InChIKeyQYMWXWZZNXNVEE-UHFFFAOYSA-N
XLogP49.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002378.84
LogP ≤ 549.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline with MolForge

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Related Compounds

Tris(2-(4-n-hexylphenyl)quinoline))iridium(III)
CID 101136485
6,6',6'',6'''-([1,1':3',1'':3'',1'''-Quaterphenyl]-2,2',2'',2'''-tetrayl)tetrakis(3-fluoropyridine)
CID 155908938
5-[4-(Trifluoromethyl)phenyl]benzo[f]quinoline
CID 168328056
1,3,6,8-Tetra(pyrid-2-yl)pyrene
CID 57567902
2,2',7,7'-Tetra(pyridin-4-yl)-9,9'-spirobi[fluorene]
CID 58085428
2,7-Di(2,2'-bipyridin-5-yl)triphenylene
CID 86709927
Iridium(3+);tris(2-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)pyridine)
CID 22184120
2-[3-[2,7-Difluoro-9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574325
2-[7-[9,9-Dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-bis(trifluoromethyl)fluoren-2-yl]quinoxaline
CID 57648365
4-[9,10-Bis(1,8-difluoro-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)anthracen-2-yl]quinoline
CID 57694625
7-(7,12-Diphenylbenzo[k]fluoranthen-3-yl)-12,14-difluoro-6-methyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 57952983
1-(7,12-Diphenylbenzo[k]fluoranthen-3-yl)-5-(4-fluorophenyl)isoquinoline
CID 57953021

Frequently Asked Questions

What is the IUPAC name of 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline?
The IUPAC name of 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline (CID 160554563) is 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline.
What is the SMILES notation for 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline?
The canonical SMILES for 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline is Cc1ncc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc12.FC(F)(F)c1ccc(-c2cc3ccccc3c(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.Fc1ccc(-c2cc3ccccc3c(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)n2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cncc5ccccc45)c4cccc-3c24)cc1.
What is the InChIKey of 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline?
The InChIKey is QYMWXWZZNXNVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F3N.C47H28FN.C42H27N.C41H25N/c49-48(50,51)33-24-22-29(23-25-33)41-28-32-16-7-8-17-34(32)47(52-41)38-26-27-40-44-37(38)20-11-21-39(44)45-42(30-12-3-1-4-13-30)35-18-9-10-19-36(35)43(46(40)45)31-14-5-2-6-15-31;48-33-24-22-29(23-25-33)41-28-32-16-7-8-17-34(32)47(49-41)38-26-27-40-44-37(38)20-11-21-39(44)45-42(30-12-3-1-4-13-30)35-18-9-10-19-36(35)43(46(40)45)31-14-5-2-6-15-31;1-26-29-17-8-9-18-30(29)37(25-43-26)31-23-24-36-40-32(31)21-12-22-35(40)41-38(27-13-4-2-5-14-27)33-19-10-11-20-34(33)39(42(36)41)28-15-6-3-7-16-28;1-3-12-26(13-4-1)37-32-18-9-10-19-33(32)38(27-14-5-2-6-15-27)41-35-23-22-30(31-20-11-21-34(39(31)35)40(37)41)36-25-42-24-28-16-7-8-17-29(28)36/h1-28H;1-28H;2-25H,1H3;1-25H.
What are the key properties of 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline?
1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline has a molecular weight of 2378.84 g/mol, XLogP of 49.56, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-(4-fluorophenyl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)isoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-1-methylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-3-[4-(trifluoromethyl)phenyl]isoquinoline is sourced from PubChem (CID 160554563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).