N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine

C185H175N19O2S — CID 159318143

IUPACN,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2c3ccccc3nc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3cccnc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1.c1ccc(N(c2ccccc2)c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2nc3ccccc3o2)cc1.c1ccc(N(c2ccccc2)c2nccn2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ncco2)cc1.c1ccc(N(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C25H19N3.2C25H18N2.C24H17N3.C21H17N3.C19H14N2O.C15H12N2O.C15H12N2S.8C2H6/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21)25-26-23-18-10-11-19-24(23)28(25)22-16-8-3-9-17-22;1-3-11-19(12-4-1)27(20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25;1-3-11-20(12-4-1)27(21-13-5-2-6-14-21)24-18-19-10-9-17-26-25(19)23-16-8-7-15-22(23)24;1-3-10-19(11-4-1)27(20-12-5-2-6-13-20)22-17-18-9-7-15-25-23(18)24-21(22)14-8-16-26-24;1-4-10-18(11-5-1)23-17-16-22-21(23)24(19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-20-17-13-7-8-14-18(17)22-19;2*1-3-7-13(8-4-1)17(15-16-11-12-18-15)14-9-5-2-6-10-14;8*1-2/h1-19H;2*1-18H;1-17H;1-17H;1-14H;2*1-12H;8*1-2H3
InChIKeyLDKJFAIYKQCKIN-UHFFFAOYSA-N
MW2728.63 g/mol
LogP54.07
Rot. Bonds26

About N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine

N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine (PubChem CID 159318143) has the molecular formula C185H175N19O2S and a molecular weight of 2728.63 g/mol. Its IUPAC name is N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine.

Molecular Properties

Compound NameN,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine
PubChem CID159318143
Molecular FormulaC185H175N19O2S
Molecular Weight2728.63 g/mol
Exact Mass2726.39
IUPAC NameN,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2c3ccccc3nc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3cccnc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1.c1ccc(N(c2ccccc2)c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2nc3ccccc3o2)cc1.c1ccc(N(c2ccccc2)c2nccn2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ncco2)cc1.c1ccc(N(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C25H19N3.2C25H18N2.C24H17N3.C21H17N3.C19H14N2O.C15H12N2O.C15H12N2S.8C2H6/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21)25-26-23-18-10-11-19-24(23)28(25)22-16-8-3-9-17-22;1-3-11-19(12-4-1)27(20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25;1-3-11-20(12-4-1)27(21-13-5-2-6-14-21)24-18-19-10-9-17-26-25(19)23-16-8-7-15-22(23)24;1-3-10-19(11-4-1)27(20-12-5-2-6-13-20)22-17-18-9-7-15-25-23(18)24-21(22)14-8-16-26-24;1-4-10-18(11-5-1)23-17-16-22-21(23)24(19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-20-17-13-7-8-14-18(17)22-19;2*1-3-7-13(8-4-1)17(15-16-11-12-18-15)14-9-5-2-6-10-14;8*1-2/h1-19H;2*1-18H;1-17H;1-17H;1-14H;2*1-12H;8*1-2H3
InChIKeyLDKJFAIYKQCKIN-UHFFFAOYSA-N
XLogP54.07
TPSA178.07 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002728.63
LogP ≤ 554.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine?
The IUPAC name of N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine (CID 159318143) is N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine.
What is the SMILES notation for N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine?
The canonical SMILES for N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2c3ccccc3nc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3cccnc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1.c1ccc(N(c2ccccc2)c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2nc3ccccc3o2)cc1.c1ccc(N(c2ccccc2)c2nccn2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ncco2)cc1.c1ccc(N(c2ccccc2)c2nccs2)cc1.
What is the InChIKey of N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine?
The InChIKey is LDKJFAIYKQCKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3.2C25H18N2.C24H17N3.C21H17N3.C19H14N2O.C15H12N2O.C15H12N2S.8C2H6/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21)25-26-23-18-10-11-19-24(23)28(25)22-16-8-3-9-17-22;1-3-11-19(12-4-1)27(20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25;1-3-11-20(12-4-1)27(21-13-5-2-6-14-21)24-18-19-10-9-17-26-25(19)23-16-8-7-15-22(23)24;1-3-10-19(11-4-1)27(20-12-5-2-6-13-20)22-17-18-9-7-15-25-23(18)24-21(22)14-8-16-26-24;1-4-10-18(11-5-1)23-17-16-22-21(23)24(19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-20-17-13-7-8-14-18(17)22-19;2*1-3-7-13(8-4-1)17(15-16-11-12-18-15)14-9-5-2-6-10-14;8*1-2/h1-19H;2*1-18H;1-17H;1-17H;1-14H;2*1-12H;8*1-2H3.
What are the key properties of N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine?
N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine has a molecular weight of 2728.63 g/mol, XLogP of 54.07, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylacridin-9-amine;N,N-diphenylbenzo[h]quinolin-6-amine;N,N-diphenyl-1,3-benzoxazol-2-amine;N,N-diphenyl-1,3-oxazol-2-amine;N,N-diphenyl-1,10-phenanthrolin-5-amine;N,N-diphenyl-1,3-thiazol-2-amine;ethane;N,N,1-triphenylbenzimidazol-2-amine;N,N,1-triphenylimidazol-2-amine is sourced from PubChem (CID 159318143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).