4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline

C51H33N5 — CID 118603197

IUPAC4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
SMILESc1ccc2c(-c3ccc(-c4cc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cc(-c5ccc(-c6ccnc7ccccc67)cc5)n4)cc3)ccnc2c1
InChIInChI=1S/C51H33N5/c1-3-7-48-46(5-1)44(21-27-54-48)36-9-13-38(14-10-36)50-32-43(42-30-40(34-17-23-52-24-18-34)29-41(31-42)35-19-25-53-26-20-35)33-51(56-50)39-15-11-37(12-16-39)45-22-28-55-49-8-4-2-6-47(45)49/h1-33H
InChIKeyVWPJKJILWFCBDB-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.64
Rot. Bonds7

About 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline

4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline (PubChem CID 118603197) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline.

Molecular Properties

Compound Name4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
PubChem CID118603197
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
SMILESc1ccc2c(-c3ccc(-c4cc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cc(-c5ccc(-c6ccnc7ccccc67)cc5)n4)cc3)ccnc2c1
InChIInChI=1S/C51H33N5/c1-3-7-48-46(5-1)44(21-27-54-48)36-9-13-38(14-10-36)50-32-43(42-30-40(34-17-23-52-24-18-34)29-41(31-42)35-19-25-53-26-20-35)33-51(56-50)39-15-11-37(12-16-39)45-22-28-55-49-8-4-2-6-47(45)49/h1-33H
InChIKeyVWPJKJILWFCBDB-UHFFFAOYSA-N
XLogP12.64
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]quinoline
CID 122427626
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443
4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
CID 70836414
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine;1-[4-[4-(3,5-dipyridin-2-ylphenyl)-6-(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline;4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163759383
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
CID 147418252
4-[3-[4-(4-phenylphenyl)-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]-5-quinolin-4-ylphenyl]quinoline
CID 122431219
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(4-phenyl-2-pyridinyl)quinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(5-phenyl-2-pyridinyl)quinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(4-pyridin-4-yl-2-pyridinyl)quinoline
CID 161425046
cyclopenta[d][1]benzazepine
CID 90914140
3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
CID 155792666
4-naphthalen-2-ylquinoline
CID 14173372
4-[4-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 130264401
4-[4-[2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130265040

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline?
The IUPAC name of 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline (CID 118603197) is 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline.
What is the SMILES notation for 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline?
The canonical SMILES for 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline is c1ccc2c(-c3ccc(-c4cc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cc(-c5ccc(-c6ccnc7ccccc67)cc5)n4)cc3)ccnc2c1.
What is the InChIKey of 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline?
The InChIKey is VWPJKJILWFCBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-7-48-46(5-1)44(21-27-54-48)36-9-13-38(14-10-36)50-32-43(42-30-40(34-17-23-52-24-18-34)29-41(31-42)35-19-25-53-26-20-35)33-51(56-50)39-15-11-37(12-16-39)45-22-28-55-49-8-4-2-6-47(45)49/h1-33H.
What are the key properties of 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline?
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline has a molecular weight of 715.86 g/mol, XLogP of 12.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline is sourced from PubChem (CID 118603197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).