5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline

C51H33N3 — CID 146332413

IUPAC5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5cnc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C51H33N3/c1-3-11-34(12-4-1)42-29-45(37-13-5-2-6-14-37)46-31-50(38-23-19-35(20-24-38)43-27-40-15-7-9-17-48(40)52-32-43)54-51(47(46)30-42)39-25-21-36(22-26-39)44-28-41-16-8-10-18-49(41)53-33-44/h1-33H
InChIKeyBNBLDLVAJFDACM-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.33
Rot. Bonds6

About 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline

5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline (PubChem CID 146332413) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline.

Molecular Properties

Compound Name5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline
PubChem CID146332413
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5cnc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C51H33N3/c1-3-11-34(12-4-1)42-29-45(37-13-5-2-6-14-37)46-31-50(38-23-19-35(20-24-38)43-27-40-15-7-9-17-48(40)52-32-43)54-51(47(46)30-42)39-25-21-36(22-26-39)44-28-41-16-8-10-18-49(41)53-33-44/h1-33H
InChIKeyBNBLDLVAJFDACM-UHFFFAOYSA-N
XLogP13.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 121402286
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 161138010
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 159177643
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-bis(4-phenylphenyl)quinazolin-4-yl]phenyl]acridine;6,8-bis(4-phenylphenyl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]quinazoline;6,8-bis(4-phenylphenyl)-2,4-bis(4-quinolin-3-ylphenyl)quinazoline;6,8-bis(4-phenylphenyl)-2,4-bis(4-quinolin-8-ylphenyl)quinazoline;4-[2-(4-cyanophenyl)-6,8-bis(4-phenylphenyl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-bis(4-phenylphenyl)quinazolin-4-yl]phenyl]benzonitrile
CID 161207306
3-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]quinoline
CID 58462269
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055
21-(4-quinolin-3-ylphenyl)-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475261

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline?
The IUPAC name of 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline (CID 146332413) is 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline.
What is the SMILES notation for 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline?
The canonical SMILES for 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline is c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5cnc6ccccc6c5)cc4)nc(-c4ccc(-c5cnc6ccccc6c5)cc4)c3c2)cc1.
What is the InChIKey of 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline?
The InChIKey is BNBLDLVAJFDACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-3-11-34(12-4-1)42-29-45(37-13-5-2-6-14-37)46-31-50(38-23-19-35(20-24-38)43-27-40-15-7-9-17-48(40)52-32-43)54-51(47(46)30-42)39-25-21-36(22-26-39)44-28-41-16-8-10-18-49(41)53-33-44/h1-33H.
What are the key properties of 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline?
5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline has a molecular weight of 687.85 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline is sourced from PubChem (CID 146332413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).