3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline

C35H23N3 — CID 118543537

IUPAC3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cc5ccccc5cn4)cc3)n2)cc1
InChIInChI=1S/C35H23N3/c1-2-9-25(10-3-1)33-22-34(30-19-14-24-8-4-5-11-28(24)20-30)38-35(37-33)27-17-15-26(16-18-27)32-21-29-12-6-7-13-31(29)23-36-32/h1-23H
InChIKeyOGIGABDKWILDSK-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline

3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline (PubChem CID 118543537) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline.

Molecular Properties

Compound Name3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
PubChem CID118543537
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cc5ccccc5cn4)cc3)n2)cc1
InChIInChI=1S/C35H23N3/c1-2-9-25(10-3-1)33-22-34(30-19-14-24-8-4-5-11-28(24)20-30)38-35(37-33)27-17-15-26(16-18-27)32-21-29-12-6-7-13-31(29)23-36-32/h1-23H
InChIKeyOGIGABDKWILDSK-UHFFFAOYSA-N
XLogP8.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 118582488
3-[6-[5-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-2-yl-2-pyridinyl]isoquinoline
CID 164817245
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
3-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 140786223
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
3-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786454
3-[4-[2,6-bis(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 122427585
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
3-[6-[5-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-phenyl-2-pyridinyl]isoquinoline
CID 164817039
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
The IUPAC name of 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline (CID 118543537) is 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline.
What is the SMILES notation for 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
The canonical SMILES for 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cc5ccccc5cn4)cc3)n2)cc1.
What is the InChIKey of 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
The InChIKey is OGIGABDKWILDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-9-25(10-3-1)33-22-34(30-19-14-24-8-4-5-11-28(24)20-30)38-35(37-33)27-17-15-26(16-18-27)32-21-29-12-6-7-13-31(29)23-36-32/h1-23H.
What are the key properties of 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline has a molecular weight of 485.59 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline is sourced from PubChem (CID 118543537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).