4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline

C49H36N2 — CID 163583047

IUPAC4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline
SMILESCC1C=Cc2cccc(-c3ccc(-c4cc5c(-c6ccc7c(c6)C=CCC7)cc(-c6ccc7ccccc7c6)nc5c5ccccc45)cc3)c2N1
InChIInChI=1S/C49H36N2/c1-31-17-18-36-13-8-16-41(48(36)50-31)34-21-23-35(24-22-34)44-29-46-45(39-25-19-32-9-2-4-11-37(32)27-39)30-47(51-49(46)43-15-7-6-14-42(43)44)40-26-20-33-10-3-5-12-38(33)28-40/h3-8,10-31,50H,2,9H2,1H3
InChIKeyGJDZLGPUVJYQLW-UHFFFAOYSA-N
MW652.84 g/mol
LogP13.00
Rot. Bonds4

About 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline

4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline (PubChem CID 163583047) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline.

Molecular Properties

Compound Name4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline
PubChem CID163583047
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline
SMILESCC1C=Cc2cccc(-c3ccc(-c4cc5c(-c6ccc7c(c6)C=CCC7)cc(-c6ccc7ccccc7c6)nc5c5ccccc45)cc3)c2N1
InChIInChI=1S/C49H36N2/c1-31-17-18-36-13-8-16-41(48(36)50-31)34-21-23-35(24-22-34)44-29-46-45(39-25-19-32-9-2-4-11-37(32)27-39)30-47(51-49(46)43-15-7-6-14-42(43)44)40-26-20-33-10-3-5-12-38(33)28-40/h3-8,10-31,50H,2,9H2,1H3
InChIKeyGJDZLGPUVJYQLW-UHFFFAOYSA-N
XLogP13.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 513.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-1-ylpyrimidine
CID 144884357
2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 121441238
1,6-dibromo-3-(5,6-dihydronaphthalen-2-yl)-8-naphthalen-2-ylpyrene
CID 143938198
2-[2-(2-cyanophenyl)-6-(5,6-dihydronaphthalen-2-yl)-8-naphthalen-2-ylquinazolin-4-yl]benzonitrile
CID 146332284
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline;2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 158566258
2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile
CID 159435282
2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167007600
6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
CID 121441241
N-(4-tert-butylphenyl)-6-[8-(5,6-dihydronaphthalen-2-yl)benzo[c]phenanthren-5-yl]-N-phenylnaphthalen-2-amine
CID 89086114
2-[2-[2-(5,6-dihydronaphthalen-2-yl)-6-methylphenyl]-3-methylphenyl]naphthalen-1-ol
CID 142046146

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline?
The IUPAC name of 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline (CID 163583047) is 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline.
What is the SMILES notation for 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline?
The canonical SMILES for 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline is CC1C=Cc2cccc(-c3ccc(-c4cc5c(-c6ccc7c(c6)C=CCC7)cc(-c6ccc7ccccc7c6)nc5c5ccccc45)cc3)c2N1.
What is the InChIKey of 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline?
The InChIKey is GJDZLGPUVJYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-31-17-18-36-13-8-16-41(48(36)50-31)34-21-23-35(24-22-34)44-29-46-45(39-25-19-32-9-2-4-11-37(32)27-39)30-47(51-49(46)43-15-7-6-14-42(43)44)40-26-20-33-10-3-5-12-38(33)28-40/h3-8,10-31,50H,2,9H2,1H3.
What are the key properties of 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline?
4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline has a molecular weight of 652.84 g/mol, XLogP of 13.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline is sourced from PubChem (CID 163583047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).