1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline

C45H29N5 — CID 164817239

IUPAC1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6ccccc56)cc(-c5nccc6ccccc56)n4)nc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-14-32(15-4-1)40-28-41(33-16-5-2-6-17-33)50-45(49-40)34-22-23-39(47-29-34)42-26-35(37-21-11-18-30-12-7-9-19-36(30)37)27-43(48-42)44-38-20-10-8-13-31(38)24-25-46-44/h1-29H
InChIKeyYZRVIZGMZLUNFQ-UHFFFAOYSA-N
MW639.76 g/mol
LogP10.97
Rot. Bonds6

About 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline

1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline (PubChem CID 164817239) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Name1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
PubChem CID164817239
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6ccccc56)cc(-c5nccc6ccccc56)n4)nc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-14-32(15-4-1)40-28-41(33-16-5-2-6-17-33)50-45(49-40)34-22-23-39(47-29-34)42-26-35(37-21-11-18-30-12-7-9-19-36(30)37)27-43(48-42)44-38-20-10-8-13-31(38)24-25-46-44/h1-29H
InChIKeyYZRVIZGMZLUNFQ-UHFFFAOYSA-N
XLogP10.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 163613760
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
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;1-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline;9-[3-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]carbazole
CID 164973724
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
2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine
CID 165077406
1-[5-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]isoquinoline
CID 118372265
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
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
4,6-diphenyl-2-[3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 165064030
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 126727033

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline?
The IUPAC name of 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline (CID 164817239) is 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline.
What is the SMILES notation for 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline?
The canonical SMILES for 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6ccccc56)cc(-c5nccc6ccccc56)n4)nc3)n2)cc1.
What is the InChIKey of 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline?
The InChIKey is YZRVIZGMZLUNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-3-14-32(15-4-1)40-28-41(33-16-5-2-6-17-33)50-45(49-40)34-22-23-39(47-29-34)42-26-35(37-21-11-18-30-12-7-9-19-36(30)37)27-43(48-42)44-38-20-10-8-13-31(38)24-25-46-44/h1-29H.
What are the key properties of 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline?
1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline has a molecular weight of 639.76 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline is sourced from PubChem (CID 164817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).