1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline

C35H23N3 — CID 58462262

IUPAC1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4nccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C35H23N3/c1-2-10-26(11-3-1)32-23-33(30-19-14-24-8-4-5-12-29(24)22-30)38-35(37-32)28-17-15-27(16-18-28)34-31-13-7-6-9-25(31)20-21-36-34/h1-23H
InChIKeyCTNRMAOTTZGPDN-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline

1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline (PubChem CID 58462262) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline.

Molecular Properties

Compound Name1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
PubChem CID58462262
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4nccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C35H23N3/c1-2-10-26(11-3-1)32-23-33(30-19-14-24-8-4-5-12-29(24)22-30)38-35(37-32)28-17-15-27(16-18-28)34-31-13-7-6-9-25(31)20-21-36-34/h1-23H
InChIKeyCTNRMAOTTZGPDN-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

1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 161456063
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
1-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;4-naphthalen-2-yl-6-phenanthren-9-yl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 162204163
1-[4-[2-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 167136111
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
1-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 58462281

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
The IUPAC name of 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline (CID 58462262) is 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline.
What is the SMILES notation for 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
The canonical SMILES for 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4nccc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
The InChIKey is CTNRMAOTTZGPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-10-26(11-3-1)32-23-33(30-19-14-24-8-4-5-12-29(24)22-30)38-35(37-32)28-17-15-27(16-18-28)34-31-13-7-6-9-25(31)20-21-36-34/h1-23H.
What are the key properties of 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline?
1-[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 1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline is sourced from PubChem (CID 58462262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).