4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline

C145H91N11 — CID 158554997

IUPAC4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline
SMILESc1ccc2c(-c3cc(-c4cc(-c5ccnc6ccccc56)cc(-c5ccnc6ccccc56)c4)nc(-c4cccc5ccccc45)c3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)cccc2c1.c1ccc2cc(-c3cc(-c4cc5ccccc5cn4)cc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)c3)ncc2c1
InChIInChI=1S/C49H31N3.2C48H30N4/c1-3-15-38-32(11-1)13-9-19-40(38)36-30-48(52-49(31-36)45-20-10-14-33-12-2-4-16-39(33)45)37-28-34(41-23-25-50-46-21-7-5-17-43(41)46)27-35(29-37)42-24-26-51-47-22-8-6-18-44(42)47;1-5-17-38-31(11-1)15-9-21-42(38)44-30-45(43-22-10-16-32-12-2-6-18-39(32)43)52-48(51-44)37-28-35(46-40-19-7-3-13-33(40)23-25-49-46)27-36(29-37)47-41-20-8-4-14-34(41)24-26-50-47;1-3-15-35-29-49-44(26-33(35)13-1)37-23-38(45-27-34-14-2-4-16-36(34)30-50-45)25-39(24-37)48-51-46(42-21-9-17-31-11-5-7-19-40(31)42)28-47(52-48)43-22-10-18-32-12-6-8-20-41(32)43/h1-31H;2*1-30H
InChIKeyHQEGQDJZRSFRSU-UHFFFAOYSA-N
MW1987.40 g/mol
LogP37.25
Rot. Bonds15

About 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline

4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline (PubChem CID 158554997) has the molecular formula C145H91N11 and a molecular weight of 1987.40 g/mol. Its IUPAC name is 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline.

Molecular Properties

Compound Name4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline
PubChem CID158554997
Molecular FormulaC145H91N11
Molecular Weight1987.40 g/mol
Exact Mass1985.75
IUPAC Name4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline
SMILESc1ccc2c(-c3cc(-c4cc(-c5ccnc6ccccc56)cc(-c5ccnc6ccccc56)c4)nc(-c4cccc5ccccc45)c3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)cccc2c1.c1ccc2cc(-c3cc(-c4cc5ccccc5cn4)cc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)c3)ncc2c1
InChIInChI=1S/C49H31N3.2C48H30N4/c1-3-15-38-32(11-1)13-9-19-40(38)36-30-48(52-49(31-36)45-20-10-14-33-12-2-4-16-39(33)45)37-28-34(41-23-25-50-46-21-7-5-17-43(41)46)27-35(29-37)42-24-26-51-47-22-8-6-18-44(42)47;1-5-17-38-31(11-1)15-9-21-42(38)44-30-45(43-22-10-16-32-12-2-6-18-39(32)43)52-48(51-44)37-28-35(46-40-19-7-3-13-33(40)23-25-49-46)27-36(29-37)47-41-20-8-4-14-34(41)24-26-50-47;1-3-15-35-29-49-44(26-33(35)13-1)37-23-38(45-27-34-14-2-4-16-36(34)30-50-45)25-39(24-37)48-51-46(42-21-9-17-31-11-5-7-19-40(31)42)28-47(52-48)43-22-10-18-32-12-6-8-20-41(32)43/h1-31H;2*1-30H
InChIKeyHQEGQDJZRSFRSU-UHFFFAOYSA-N
XLogP37.25
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001987.40
LogP ≤ 537.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline with MolForge

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Related Compounds

1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 159845320
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443
3-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 122416233
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
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
1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 164817239
1-[6-[5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 163613760
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 160580217
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 158472382
4-[3,5-bis(4-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine;2-(3,5-dinaphthalen-1-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)pyrimidine;2,6-diphenyl-4-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]pyridine
CID 159726197
1-[6-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 159179777
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline?
The IUPAC name of 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline (CID 158554997) is 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline.
What is the SMILES notation for 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline?
The canonical SMILES for 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline is c1ccc2c(-c3cc(-c4cc(-c5ccnc6ccccc56)cc(-c5ccnc6ccccc56)c4)nc(-c4cccc5ccccc45)c3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)cccc2c1.c1ccc2cc(-c3cc(-c4cc5ccccc5cn4)cc(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)c3)ncc2c1.
What is the InChIKey of 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline?
The InChIKey is HQEGQDJZRSFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.2C48H30N4/c1-3-15-38-32(11-1)13-9-19-40(38)36-30-48(52-49(31-36)45-20-10-14-33-12-2-4-16-39(33)45)37-28-34(41-23-25-50-46-21-7-5-17-43(41)46)27-35(29-37)42-24-26-51-47-22-8-6-18-44(42)47;1-5-17-38-31(11-1)15-9-21-42(38)44-30-45(43-22-10-16-32-12-2-6-18-39(32)43)52-48(51-44)37-28-35(46-40-19-7-3-13-33(40)23-25-49-46)27-36(29-37)47-41-20-8-4-14-34(41)24-26-50-47;1-3-15-35-29-49-44(26-33(35)13-1)37-23-38(45-27-34-14-2-4-16-36(34)30-50-45)25-39(24-37)48-51-46(42-21-9-17-31-11-5-7-19-40(31)42)28-47(52-48)43-22-10-18-32-12-6-8-20-41(32)43/h1-31H;2*1-30H.
What are the key properties of 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline?
4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline has a molecular weight of 1987.40 g/mol, XLogP of 37.25, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline is sourced from PubChem (CID 158554997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).