8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline

C73H51N5S — CID 153458149

IUPAC8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1nc2c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cccc(-c7ccc8c(c7)sc7ccccc78)c6)nc5)cc(-c5ccccc5-c5ccc6c(ccn7c(C)c(C)nc67)c5)c4)cc3ccn2c1C
InChIInChI=1S/C73H51N5S/c1-44-46(3)77-34-32-52-37-50(25-28-65(52)72(77)75-44)59-16-5-8-19-62(59)56-39-57(63-20-9-6-17-60(63)51-26-29-66-53(38-51)33-35-78-47(4)45(2)76-73(66)78)41-58(40-56)64-21-10-7-18-61(64)55-27-31-69(74-43-55)54-15-13-14-48(36-54)49-24-30-68-67-22-11-12-23-70(67)79-71(68)42-49/h5-43H,1-4H3
InChIKeyRQJHEQDRZJOUKV-UHFFFAOYSA-N
MW1030.31 g/mol
LogP19.62
Rot. Bonds8

About 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline

8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline (PubChem CID 153458149) has the molecular formula C73H51N5S and a molecular weight of 1030.31 g/mol. Its IUPAC name is 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline
PubChem CID153458149
Molecular FormulaC73H51N5S
Molecular Weight1030.31 g/mol
Exact Mass1029.39
IUPAC Name8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1nc2c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cccc(-c7ccc8c(c7)sc7ccccc78)c6)nc5)cc(-c5ccccc5-c5ccc6c(ccn7c(C)c(C)nc67)c5)c4)cc3ccn2c1C
InChIInChI=1S/C73H51N5S/c1-44-46(3)77-34-32-52-37-50(25-28-65(52)72(77)75-44)59-16-5-8-19-62(59)56-39-57(63-20-9-6-17-60(63)51-26-29-66-53(38-51)33-35-78-47(4)45(2)76-73(66)78)41-58(40-56)64-21-10-7-18-61(64)55-27-31-69(74-43-55)54-15-13-14-48(36-54)49-24-30-68-67-22-11-12-23-70(67)79-71(68)42-49/h5-43H,1-4H3
InChIKeyRQJHEQDRZJOUKV-UHFFFAOYSA-N
XLogP19.62
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.31
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline with MolForge

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Related Compounds

4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584456
2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine
CID 166565370
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171584552
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585066
4-dibenzothiophen-3-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603267
5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine
CID 153458018
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]pyridine
CID 142438932
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171584432
10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 165148988
3-(2-methyl-3-phenylphenyl)dibenzothiophene
CID 146397483

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline?
The IUPAC name of 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline (CID 153458149) is 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline is Cc1nc2c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cccc(-c7ccc8c(c7)sc7ccccc78)c6)nc5)cc(-c5ccccc5-c5ccc6c(ccn7c(C)c(C)nc67)c5)c4)cc3ccn2c1C.
What is the InChIKey of 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline?
The InChIKey is RQJHEQDRZJOUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N5S/c1-44-46(3)77-34-32-52-37-50(25-28-65(52)72(77)75-44)59-16-5-8-19-62(59)56-39-57(63-20-9-6-17-60(63)51-26-29-66-53(38-51)33-35-78-47(4)45(2)76-73(66)78)41-58(40-56)64-21-10-7-18-61(64)55-27-31-69(74-43-55)54-15-13-14-48(36-54)49-24-30-68-67-22-11-12-23-70(67)79-71(68)42-49/h5-43H,1-4H3.
What are the key properties of 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline?
8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline has a molecular weight of 1030.31 g/mol, XLogP of 19.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 153458149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).