benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine

C101H80F5N11O — CID 158418420

IUPACbenzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine
SMILESC(=N/c1ccccc1)\c1ccccc1.Cc1ccc(-c2ccccn2)cc1.FC(F)(F)c1ccnc(-c2ccccc2)c1.Fc1cc(F)nc(-c2ccccc2)c1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cnccn2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(C2=NCCO2)cc1.c1ccc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H9N.C13H11N.C12H8F3N.C12H11N.C11H7F2N.C11H9N.2C10H8N2.C9H9NO/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-11-7-4-8-12-10;1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-9H;1-11H;1-8H;2-9H,1H3;1-7H;1-9H;2*1-8H;1-5H,6-7H2/b;14-11+;;;;;;;
InChIKeyHAEPDOUVKBOKHK-LDQNDNCVSA-N
MW1558.82 g/mol
LogP25.18
Rot. Bonds9

About benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine

benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine (PubChem CID 158418420) has the molecular formula C101H80F5N11O and a molecular weight of 1558.82 g/mol. Its IUPAC name is benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebenzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine
PubChem CID158418420
Molecular FormulaC101H80F5N11O
Molecular Weight1558.82 g/mol
Exact Mass1557.65
IUPAC Namebenzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine
SMILESC(=N/c1ccccc1)\c1ccccc1.Cc1ccc(-c2ccccn2)cc1.FC(F)(F)c1ccnc(-c2ccccc2)c1.Fc1cc(F)nc(-c2ccccc2)c1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cnccn2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(C2=NCCO2)cc1.c1ccc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H9N.C13H11N.C12H8F3N.C12H11N.C11H7F2N.C11H9N.2C10H8N2.C9H9NO/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-11-7-4-8-12-10;1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-9H;1-11H;1-8H;2-9H,1H3;1-7H;1-9H;2*1-8H;1-5H,6-7H2/b;14-11+;;;;;;;
InChIKeyHAEPDOUVKBOKHK-LDQNDNCVSA-N
XLogP25.18
TPSA149.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001558.82
LogP ≤ 525.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

7,18-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,15,21,25-tetrapyridin-3-yl-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene;oxolane
CID 139184536
2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-amine
CID 10030586
2-(3-phenylmethoxypropyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-amine
CID 10031196
N-(6-tert-butylpyridin-3-yl)-2-(3-phenylmethoxypropyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine
CID 10099560
2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine
CID 10415282
2-(pyridin-4-ylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-amine
CID 22030042
2-(pyridin-3-ylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-amine
CID 22030314
2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazolin-4-amine
CID 69448693
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-N-[[2-[2-(phenylmethoxymethyl)tetrazol-5-yl]quinolin-3-yl]methyl]pyrimidin-2-amine
CID 87679330
2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine
CID 87780609
2-[3-[6-(3-Benzo[h]quinolin-2-ylphenyl)-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 137484653
3-[4-[6-[4-(6a,7-Dihydro-1,10-phenanthrolin-3-yl)-3,5-difluorophenyl]-2-naphthalen-2-ylpyrimidin-4-yl]-2,6-difluorophenyl]-1,10-phenanthroline
CID 155085168

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine?
The IUPAC name of benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine (CID 158418420) is benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine is C(=N/c1ccccc1)\c1ccccc1.Cc1ccc(-c2ccccn2)cc1.FC(F)(F)c1ccnc(-c2ccccc2)c1.Fc1cc(F)nc(-c2ccccc2)c1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cnccn2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(C2=NCCO2)cc1.c1ccc2c(c1)ccc1cccnc12.
What is the InChIKey of benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine?
The InChIKey is HAEPDOUVKBOKHK-LDQNDNCVSA-N. The full InChI is InChI=1S/C13H9N.C13H11N.C12H8F3N.C12H11N.C11H7F2N.C11H9N.2C10H8N2.C9H9NO/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-11-7-4-8-12-10;1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-9H;1-11H;1-8H;2-9H,1H3;1-7H;1-9H;2*1-8H;1-5H,6-7H2/b;14-11+;;;;;;;.
What are the key properties of benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine?
benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine has a molecular weight of 1558.82 g/mol, XLogP of 25.18, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinoline;2,4-difluoro-6-phenylpyridine;N,1-diphenylmethanimine;2-(4-methylphenyl)pyridine;2-phenyl-4,5-dihydro-1,3-oxazole;2-phenylpyrazine;2-phenylpyridine;2-phenylpyrimidine;2-phenyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158418420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).