2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

C127H124BrFN22O10 — CID 157471163

IUPAC2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
SMILESC.C.C.C.C.C=C(O)c1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1.CC(Cc1nc2cccc3c2n1CCNC3=O)c1ccccc1.Cc1cc(F)cc(-c2nc3cccc4c3n2CCNC4=O)c1.Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1.Cn1cc(-c2nc3cccc4c3n2CCNC4=O)c2ccccc21.O=C1NCCn2c(-c3ccc(Br)cc3)nc3cccc1c32.O=C1NCCn2c(-c3ccc(O)cc3O)nc3cccc1c32
InChIInChI=1S/C19H16N4O.C19H19N3O.C18H15N3O2.C17H14FN3O.C17H15N3O.C16H12BrN3O.C16H13N3O3.5CH4/c1-22-11-14(12-5-2-3-8-16(12)22)18-21-15-7-4-6-13-17(15)23(18)10-9-20-19(13)24;1-13(14-6-3-2-4-7-14)12-17-21-16-9-5-8-15-18(16)22(17)11-10-20-19(15)23;1-11(22)12-5-7-13(8-6-12)17-20-15-4-2-3-14-16(15)21(17)10-9-19-18(14)23;1-10-7-11(9-12(18)8-10)16-20-14-4-2-3-13-15(14)21(16)6-5-19-17(13)22;1-11-5-7-12(8-6-11)16-19-14-4-2-3-13-15(14)20(16)10-9-18-17(13)21;17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21;20-9-4-5-10(13(21)8-9)15-18-12-3-1-2-11-14(12)19(15)7-6-17-16(11)22;;;;;/h2-8,11H,9-10H2,1H3,(H,20,24);2-9,13H,10-12H2,1H3,(H,20,23);2-8,22H,1,9-10H2,(H,19,23);2-4,7-9H,5-6H2,1H3,(H,19,22);2-8H,9-10H2,1H3,(H,18,21);1-7H,8-9H2,(H,18,21);1-5,8,20-21H,6-7H2,(H,17,22);5*1H4
InChIKeyBVBAKMZVFKNSII-UHFFFAOYSA-N
MW2217.43 g/mol
LogP22.94
Rot. Bonds10

About 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (PubChem CID 157471163) has the molecular formula C127H124BrFN22O10 and a molecular weight of 2217.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
PubChem CID157471163
Molecular FormulaC127H124BrFN22O10
Molecular Weight2217.43 g/mol
Exact Mass2214.90
IUPAC Name2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
SMILESC.C.C.C.C.C=C(O)c1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1.CC(Cc1nc2cccc3c2n1CCNC3=O)c1ccccc1.Cc1cc(F)cc(-c2nc3cccc4c3n2CCNC4=O)c1.Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1.Cn1cc(-c2nc3cccc4c3n2CCNC4=O)c2ccccc21.O=C1NCCn2c(-c3ccc(Br)cc3)nc3cccc1c32.O=C1NCCn2c(-c3ccc(O)cc3O)nc3cccc1c32
InChIInChI=1S/C19H16N4O.C19H19N3O.C18H15N3O2.C17H14FN3O.C17H15N3O.C16H12BrN3O.C16H13N3O3.5CH4/c1-22-11-14(12-5-2-3-8-16(12)22)18-21-15-7-4-6-13-17(15)23(18)10-9-20-19(13)24;1-13(14-6-3-2-4-7-14)12-17-21-16-9-5-8-15-18(16)22(17)11-10-20-19(15)23;1-11(22)12-5-7-13(8-6-12)17-20-15-4-2-3-14-16(15)21(17)10-9-19-18(14)23;1-10-7-11(9-12(18)8-10)16-20-14-4-2-3-13-15(14)21(16)6-5-19-17(13)22;1-11-5-7-12(8-6-11)16-19-14-4-2-3-13-15(14)20(16)10-9-18-17(13)21;17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21;20-9-4-5-10(13(21)8-9)15-18-12-3-1-2-11-14(12)19(15)7-6-17-16(11)22;;;;;/h2-8,11H,9-10H2,1H3,(H,20,24);2-9,13H,10-12H2,1H3,(H,20,23);2-8,22H,1,9-10H2,(H,19,23);2-4,7-9H,5-6H2,1H3,(H,19,22);2-8H,9-10H2,1H3,(H,18,21);1-7H,8-9H2,(H,18,21);1-5,8,20-21H,6-7H2,(H,17,22);5*1H4
InChIKeyBVBAKMZVFKNSII-UHFFFAOYSA-N
XLogP22.94
TPSA394.06 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002217.43
LogP ≤ 522.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one with MolForge

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Related Compounds

CID 158206175
CID 158206175
2-(3,5-Difluorophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 159889521
ethyl 4-[2-(9-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl)ethyl]benzoate;2-[2-(4-ethylphenyl)ethyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;N-[2-(4-hydroxyphenyl)ethyl]-3-(9-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl)propanamide;2-(1-methylpyrrol-2-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 161463378

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The IUPAC name of 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (CID 157471163) is 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.
What is the SMILES notation for 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The canonical SMILES for 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is C.C.C.C.C.C=C(O)c1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1.CC(Cc1nc2cccc3c2n1CCNC3=O)c1ccccc1.Cc1cc(F)cc(-c2nc3cccc4c3n2CCNC4=O)c1.Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1.Cn1cc(-c2nc3cccc4c3n2CCNC4=O)c2ccccc21.O=C1NCCn2c(-c3ccc(Br)cc3)nc3cccc1c32.O=C1NCCn2c(-c3ccc(O)cc3O)nc3cccc1c32.
What is the InChIKey of 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The InChIKey is BVBAKMZVFKNSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O.C19H19N3O.C18H15N3O2.C17H14FN3O.C17H15N3O.C16H12BrN3O.C16H13N3O3.5CH4/c1-22-11-14(12-5-2-3-8-16(12)22)18-21-15-7-4-6-13-17(15)23(18)10-9-20-19(13)24;1-13(14-6-3-2-4-7-14)12-17-21-16-9-5-8-15-18(16)22(17)11-10-20-19(15)23;1-11(22)12-5-7-13(8-6-12)17-20-15-4-2-3-14-16(15)21(17)10-9-19-18(14)23;1-10-7-11(9-12(18)8-10)16-20-14-4-2-3-13-15(14)21(16)6-5-19-17(13)22;1-11-5-7-12(8-6-11)16-19-14-4-2-3-13-15(14)20(16)10-9-18-17(13)21;17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21;20-9-4-5-10(13(21)8-9)15-18-12-3-1-2-11-14(12)19(15)7-6-17-16(11)22;;;;;/h2-8,11H,9-10H2,1H3,(H,20,24);2-9,13H,10-12H2,1H3,(H,20,23);2-8,22H,1,9-10H2,(H,19,23);2-4,7-9H,5-6H2,1H3,(H,19,22);2-8H,9-10H2,1H3,(H,18,21);1-7H,8-9H2,(H,18,21);1-5,8,20-21H,6-7H2,(H,17,22);5*1H4.
What are the key properties of 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one has a molecular weight of 2217.43 g/mol, XLogP of 22.94, 10 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2,4-dihydroxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(3-fluoro-5-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-[4-(1-hydroxyethenyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;methane;2-(1-methylindol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(2-phenylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 157471163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).