2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline

C68H69N7 — CID 158618516

IUPAC2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
SMILESCC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H13N.C13H10N2.C12H8N2.2C9H7N.4C2H6/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;4*1-2/h1-13H;2-8H,1H3;1-8H;2*1-7H;4*1-2H3
InChIKeyHXRTXIIFIMTIHN-UHFFFAOYSA-N
MW984.35 g/mol
LogP18.86
Rot. Bonds2

About 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline

2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline (PubChem CID 158618516) has the molecular formula C68H69N7 and a molecular weight of 984.35 g/mol. Its IUPAC name is 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline.

Molecular Properties

Compound Name2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
PubChem CID158618516
Molecular FormulaC68H69N7
Molecular Weight984.35 g/mol
Exact Mass983.56
IUPAC Name2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
SMILESCC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H13N.C13H10N2.C12H8N2.2C9H7N.4C2H6/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;4*1-2/h1-13H;2-8H,1H3;1-8H;2*1-7H;4*1-2H3
InChIKeyHXRTXIIFIMTIHN-UHFFFAOYSA-N
XLogP18.86
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.35
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran;dibenzothiophene;2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
CID 162161049
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
1,1'-biphenyl;9,9-dimethylfluorene;bis(1,3-diphenylbenzene);1,4-diphenylbenzene;bis(2,6-diphenylpyridine);ethane;9-methylphenanthrene;naphthalene;phenanthrene;bis(2-phenylpyridine);bis(3-phenylpyridine);pyridine;quinoline;toluene
CID 161395072
ethane;1,7-naphthyridine;quinoline
CID 145375138
7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline
CID 158503228
acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
6-methylisoquinoline;5-methylquinoline
CID 154664232
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165006532
7-methyl-2-[3-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-1,10-phenanthroline
CID 138662447
N-(4-isoquinolin-7-ylphenyl)-4-phenanthren-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463466

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline?
The IUPAC name of 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline (CID 158618516) is 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline.
What is the SMILES notation for 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline?
The canonical SMILES for 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline is CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.c1ccc(-c2cccc(-c3ccccc3)n2)cc1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline?
The InChIKey is HXRTXIIFIMTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N.C13H10N2.C12H8N2.2C9H7N.4C2H6/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;4*1-2/h1-13H;2-8H,1H3;1-8H;2*1-7H;4*1-2H3.
What are the key properties of 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline?
2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline has a molecular weight of 984.35 g/mol, XLogP of 18.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline is sourced from PubChem (CID 158618516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).