1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline

C132H85N3 — CID 158212158

IUPAC1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline
SMILESCc1nc(-c2cc3c4c(cccc4c2)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc2c1-c1ccccc1.Cc1nc(-c2cc3c4c(cccc4c2)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc2c1C.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4nccc5ccccc45)cc4cccc-3c24)cc1
InChIInChI=1S/C48H31N.C43H29N.C41H25N/c1-30-42(31-16-5-2-6-17-31)38-25-13-14-26-39(38)48(49-30)35-28-34-22-15-27-40-43(34)41(29-35)47-45(33-20-9-4-10-21-33)37-24-12-11-23-36(37)44(46(40)47)32-18-7-3-8-19-32;1-26-27(2)44-43(35-22-12-9-19-32(26)35)31-24-30-18-13-23-36-38(30)37(25-31)42-40(29-16-7-4-8-17-29)34-21-11-10-20-33(34)39(41(36)42)28-14-5-3-6-15-28;1-3-13-27(14-4-1)37-32-19-9-10-20-33(32)38(28-15-5-2-6-16-28)40-35-25-30(24-29-17-11-21-34(36(29)35)39(37)40)41-31-18-8-7-12-26(31)22-23-42-41/h2-29H,1H3;3-25H,1-2H3;1-25H
InChIKeyGCFCDYHPDBVTHH-UHFFFAOYSA-N
MW1713.15 g/mol
LogP36.16
Rot. Bonds10

About 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline

1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline (PubChem CID 158212158) has the molecular formula C132H85N3 and a molecular weight of 1713.15 g/mol. Its IUPAC name is 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline.

Molecular Properties

Compound Name1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline
PubChem CID158212158
Molecular FormulaC132H85N3
Molecular Weight1713.15 g/mol
Exact Mass1711.67
IUPAC Name1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline
SMILESCc1nc(-c2cc3c4c(cccc4c2)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc2c1-c1ccccc1.Cc1nc(-c2cc3c4c(cccc4c2)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc2c1C.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4nccc5ccccc45)cc4cccc-3c24)cc1
InChIInChI=1S/C48H31N.C43H29N.C41H25N/c1-30-42(31-16-5-2-6-17-31)38-25-13-14-26-39(38)48(49-30)35-28-34-22-15-27-40-43(34)41(29-35)47-45(33-20-9-4-10-21-33)37-24-12-11-23-36(37)44(46(40)47)32-18-7-3-8-19-32;1-26-27(2)44-43(35-22-12-9-19-32(26)35)31-24-30-18-13-23-36-38(30)37(25-31)42-40(29-16-7-4-8-17-29)34-21-11-10-20-33(34)39(41(36)42)28-14-5-3-6-15-28;1-3-13-27(14-4-1)37-32-19-9-10-20-33(32)38(28-15-5-2-6-16-28)40-35-25-30(24-29-17-11-21-34(36(29)35)39(37)40)41-31-18-8-7-12-26(31)22-23-42-41/h2-29H,1H3;3-25H,1-2H3;1-25H
InChIKeyGCFCDYHPDBVTHH-UHFFFAOYSA-N
XLogP36.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001713.15
LogP ≤ 536.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline with MolForge

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Related Compounds

1-(15,22-diphenyl-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaenyl)isoquinoline
CID 58309797
5-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-1,3-dimethylisoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methylisoquinoline;5-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-1-methylisoquinoline;4-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-1-phenylisoquinoline
CID 158890892
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
1-[3-[3-[2,6-dimethyl-3,5-bis(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 140595206
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
carbanide;iridium;1-phenylisoquinoline
CID 166502152
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454238
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816

Frequently Asked Questions

What is the IUPAC name of 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline?
The IUPAC name of 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline (CID 158212158) is 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline.
What is the SMILES notation for 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline?
The canonical SMILES for 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline is Cc1nc(-c2cc3c4c(cccc4c2)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc2c1-c1ccccc1.Cc1nc(-c2cc3c4c(cccc4c2)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c2ccccc2c1C.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4nccc5ccccc45)cc4cccc-3c24)cc1.
What is the InChIKey of 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline?
The InChIKey is GCFCDYHPDBVTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N.C43H29N.C41H25N/c1-30-42(31-16-5-2-6-17-31)38-25-13-14-26-39(38)48(49-30)35-28-34-22-15-27-40-43(34)41(29-35)47-45(33-20-9-4-10-21-33)37-24-12-11-23-36(37)44(46(40)47)32-18-7-3-8-19-32;1-26-27(2)44-43(35-22-12-9-19-32(26)35)31-24-30-18-13-23-36-38(30)37(25-31)42-40(29-16-7-4-8-17-29)34-21-11-10-20-33(34)39(41(36)42)28-14-5-3-6-15-28;1-3-13-27(14-4-1)37-32-19-9-10-20-33(32)38(28-15-5-2-6-16-28)40-35-25-30(24-29-17-11-21-34(36(29)35)39(37)40)41-31-18-8-7-12-26(31)22-23-42-41/h2-29H,1H3;3-25H,1-2H3;1-25H.
What are the key properties of 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline?
1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline has a molecular weight of 1713.15 g/mol, XLogP of 36.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3,4-dimethylisoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)isoquinoline;1-(7,12-diphenylbenzo[k]fluoranthen-5-yl)-3-methyl-4-phenylisoquinoline is sourced from PubChem (CID 158212158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).