4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline

C34H35NO — CID 143661155

IUPAC4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline
SMILESCCCCCC(C)CCOc1c(-c2ccccc2)cnc2ccc(-c3cccc4ccccc34)cc12
InChIInChI=1S/C34H35NO/c1-3-4-6-12-25(2)21-22-36-34-31-23-28(30-18-11-16-26-15-9-10-17-29(26)30)19-20-33(31)35-24-32(34)27-13-7-5-8-14-27/h5,7-11,13-20,23-25H,3-4,6,12,21-22H2,1-2H3
InChIKeyCQZABPTXDVMSAW-UHFFFAOYSA-N
MW473.66 g/mol
LogP9.71
Rot. Bonds10

About 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline

4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline (PubChem CID 143661155) has the molecular formula C34H35NO and a molecular weight of 473.66 g/mol. Its IUPAC name is 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline.

Molecular Properties

Compound Name4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline
PubChem CID143661155
Molecular FormulaC34H35NO
Molecular Weight473.66 g/mol
Exact Mass473.27
IUPAC Name4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline
SMILESCCCCCC(C)CCOc1c(-c2ccccc2)cnc2ccc(-c3cccc4ccccc34)cc12
InChIInChI=1S/C34H35NO/c1-3-4-6-12-25(2)21-22-36-34-31-23-28(30-18-11-16-26-15-9-10-17-29(26)30)19-20-33(31)35-24-32(34)27-13-7-5-8-14-27/h5,7-11,13-20,23-25H,3-4,6,12,21-22H2,1-2H3
InChIKeyCQZABPTXDVMSAW-UHFFFAOYSA-N
XLogP9.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 59.71
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

2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
CID 142247031
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
4-ethyl-6-naphthalen-1-yl-1-phenylnaphthalene
CID 161426162
1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol
CID 150324405
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
1-(2-methylhexadecyl)naphthalene
CID 139758361
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
7,12-bis(4-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59183884
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
1-ethyl-7-naphthalen-1-yl-3-phenylnaphthalene
CID 145347928
2-(4-cyclohexyloxypentan-2-yl)naphthalene;2-[2-(3-methylheptoxy)ethoxy]-1,3-diphenylbenzene
CID 144561183
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline?
The IUPAC name of 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline (CID 143661155) is 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline.
What is the SMILES notation for 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline?
The canonical SMILES for 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline is CCCCCC(C)CCOc1c(-c2ccccc2)cnc2ccc(-c3cccc4ccccc34)cc12.
What is the InChIKey of 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline?
The InChIKey is CQZABPTXDVMSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35NO/c1-3-4-6-12-25(2)21-22-36-34-31-23-28(30-18-11-16-26-15-9-10-17-29(26)30)19-20-33(31)35-24-32(34)27-13-7-5-8-14-27/h5,7-11,13-20,23-25H,3-4,6,12,21-22H2,1-2H3.
What are the key properties of 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline?
4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline has a molecular weight of 473.66 g/mol, XLogP of 9.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyloctoxy)-6-naphthalen-1-yl-3-phenylquinoline is sourced from PubChem (CID 143661155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).