2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline

C48H30N4 — CID 155023055

IUPAC2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5nc(-c6cc(-c7cnc8ccccc8c7)cc(-c7cnc8ccccc8c7)c6)ccc5c4)cc3n2)cc1
InChIInChI=1S/C48H30N4/c1-2-8-31(9-3-1)45-19-16-32-14-15-34(28-48(32)52-45)33-17-20-46-37(22-33)18-21-47(51-46)40-26-38(41-23-35-10-4-6-12-43(35)49-29-41)25-39(27-40)42-24-36-11-5-7-13-44(36)50-30-42/h1-30H
InChIKeyBTWCYYBSYXNSBJ-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline

2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline (PubChem CID 155023055) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline.

Molecular Properties

Compound Name2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
PubChem CID155023055
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5nc(-c6cc(-c7cnc8ccccc8c7)cc(-c7cnc8ccccc8c7)c6)ccc5c4)cc3n2)cc1
InChIInChI=1S/C48H30N4/c1-2-8-31(9-3-1)45-19-16-32-14-15-34(28-48(32)52-45)33-17-20-46-37(22-33)18-21-47(51-46)40-26-38(41-23-35-10-4-6-12-43(35)49-29-41)25-39(27-40)42-24-36-11-5-7-13-44(36)50-30-42/h1-30H
InChIKeyBTWCYYBSYXNSBJ-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline with MolForge

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Related Compounds

2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
CID 139364036
2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164982602
2-[3,5-di(quinolin-3-yl)phenyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-[2-(3-quinolin-3-ylphenyl)quinolin-7-yl]quinoline;2-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165071745
2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165080275
2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
iridium;tris(2-phenylquinoline)
CID 122129463
2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165106685
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline
CID 164989766
2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
CID 139363998

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline?
The IUPAC name of 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline (CID 155023055) is 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline.
What is the SMILES notation for 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline?
The canonical SMILES for 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline is c1ccc(-c2ccc3ccc(-c4ccc5nc(-c6cc(-c7cnc8ccccc8c7)cc(-c7cnc8ccccc8c7)c6)ccc5c4)cc3n2)cc1.
What is the InChIKey of 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline?
The InChIKey is BTWCYYBSYXNSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-8-31(9-3-1)45-19-16-32-14-15-34(28-48(32)52-45)33-17-20-46-37(22-33)18-21-47(51-46)40-26-38(41-23-35-10-4-6-12-43(35)49-29-41)25-39(27-40)42-24-36-11-5-7-13-44(36)50-30-42/h1-30H.
What are the key properties of 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline?
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline is sourced from PubChem (CID 155023055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).