1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline

C34H28N2 — CID 155607555

IUPAC1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline
SMILESc1ccc(-c2ccc(CCCCc3cnc(-c4cccc5ccccc45)c4ccccc34)cn2)cc1
InChIInChI=1S/C34H28N2/c1-2-13-27(14-3-1)33-22-21-25(23-35-33)11-4-5-15-28-24-36-34(31-19-9-8-18-30(28)31)32-20-10-16-26-12-6-7-17-29(26)32/h1-3,6-10,12-14,16-24H,4-5,11,15H2
InChIKeyNAQZNVJUFXJWKV-UHFFFAOYSA-N
MW464.61 g/mol
LogP8.68
Rot. Bonds7

About 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline

1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline (PubChem CID 155607555) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline
PubChem CID155607555
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline
SMILESc1ccc(-c2ccc(CCCCc3cnc(-c4cccc5ccccc45)c4ccccc34)cn2)cc1
InChIInChI=1S/C34H28N2/c1-2-13-27(14-3-1)33-22-21-25(23-35-33)11-4-5-15-28-24-36-34(31-19-9-8-18-30(28)31)32-20-10-16-26-12-6-7-17-29(26)32/h1-3,6-10,12-14,16-24H,4-5,11,15H2
InChIKeyNAQZNVJUFXJWKV-UHFFFAOYSA-N
XLogP8.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-4-[4-(6-phenyl-3-pyridinyl)butyl]-6-propan-2-ylisoquinoline
CID 155607540
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 177269899
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-phenyl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline
CID 155607609
4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine
CID 158830906
4-naphthalen-1-yl-8-phenylquinazoline
CID 166801148
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
CID 165148497
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline?
The IUPAC name of 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline (CID 155607555) is 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline.
What is the SMILES notation for 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline?
The canonical SMILES for 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline is c1ccc(-c2ccc(CCCCc3cnc(-c4cccc5ccccc45)c4ccccc34)cn2)cc1.
What is the InChIKey of 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline?
The InChIKey is NAQZNVJUFXJWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-2-13-27(14-3-1)33-22-21-25(23-35-33)11-4-5-15-28-24-36-34(31-19-9-8-18-30(28)31)32-20-10-16-26-12-6-7-17-29(26)32/h1-3,6-10,12-14,16-24H,4-5,11,15H2.
What are the key properties of 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline?
1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline has a molecular weight of 464.61 g/mol, XLogP of 8.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-[4-(6-phenyl-3-pyridinyl)butyl]isoquinoline is sourced from PubChem (CID 155607555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).