bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine

C142H198Br11N21O3S4 — CID 159408878

About bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine

bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine (PubChem CID 159408878) has the molecular formula C142H198Br11N21O3S4 and a molecular weight of 3254.50 g/mol. Its IUPAC name is bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine
• PubChem CID: 159408878
• Molecular Formula: C142H198Br11N21O3S4
• Molecular Weight: 3254.50 g/mol
• Exact Mass: 3241.59
• IUPAC Name: bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine
• SMILES: CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.Cc1cc(N(C)C)c(C)c2nsnc12.Cc1cc(N(C)C)c(C)s1.Cc1ccc2c(c1)C(=O)c1cc(C)c(N(C)C)cc1-2.Cc1ccc2c(c1)Cc1cc(C)c(N(C)C)cc1-2.Cc1ccc2c(c1)Nc1cc(C)c(N(C)C)cc1O2.Cc1ccc2c(c1)oc1cc(C)c(N(C)C)cc12.Cc1ccc2c(c1)sc1cc(C)c(N(C)C)cc12.Cc1cnc(C)c(N(C)C)c1.Cc1cnc(C)c(N(C)C)n1.Cc1nc(C)nc(N(C)C)n1.Cc1nc(N(C)C)c(C)s1
• InChI: InChI=1S/C17H17NO.C17H19N.C16H18N2O.C16H17NO.C16H17NS.C10H13N3S.C9H14N2.C8H13N3.C8H13NS.C7H12N4.C7H12N2S.11CH3Br/c1-10-5-6-12-13-9-16(18(3)4)11(2)8-15(13)17(19)14(12)7-10;1-11-5-6-15-13(7-11)9-14-8-12(2)17(18(3)4)10-16(14)15;1-10-5-6-15-12(7-10)17-13-8-11(2)14(18(3)4)9-16(13)19-15;2*1-10-5-6-12-13-9-14(17(3)4)11(2)8-16(13)18-15(12)7-10;1-6-5-8(13(3)4)7(2)10-9(6)11-14-12-10;1-7-5-9(11(3)4)8(2)10-6-7;1-6-5-9-7(2)8(10-6)11(3)4;1-6-5-8(9(3)4)7(2)10-6;1-5-8-6(2)10-7(9-5)11(3)4;1-5-7(9(3)4)8-6(2)10-5;11*1-2/h5-9H,1-4H3;5-8,10H,9H2,1-4H3;5-9,17H,1-4H3;2*5-9H,1-4H3;5H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;1-4H3;1-4H3;11*1H3
• InChIKey: LOHXRIRQTUOPGW-UHFFFAOYSA-N
• XLogP: 41.98
• TPSA: 203.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3254.50
LogP ≤ 5	41.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine?

The IUPAC name of bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine (CID 159408878) is bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine.

What is the SMILES notation for bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine?

The canonical SMILES for bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine is CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.CBr.Cc1cc(N(C)C)c(C)c2nsnc12.Cc1cc(N(C)C)c(C)s1.Cc1ccc2c(c1)C(=O)c1cc(C)c(N(C)C)cc1-2.Cc1ccc2c(c1)Cc1cc(C)c(N(C)C)cc1-2.Cc1ccc2c(c1)Nc1cc(C)c(N(C)C)cc1O2.Cc1ccc2c(c1)oc1cc(C)c(N(C)C)cc12.Cc1ccc2c(c1)sc1cc(C)c(N(C)C)cc12.Cc1cnc(C)c(N(C)C)c1.Cc1cnc(C)c(N(C)C)n1.Cc1nc(C)nc(N(C)C)n1.Cc1nc(N(C)C)c(C)s1.

What is the InChIKey of bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine?

The InChIKey is LOHXRIRQTUOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.C17H19N.C16H18N2O.C16H17NO.C16H17NS.C10H13N3S.C9H14N2.C8H13N3.C8H13NS.C7H12N4.C7H12N2S.11CH3Br/c1-10-5-6-12-13-9-16(18(3)4)11(2)8-15(13)17(19)14(12)7-10;1-11-5-6-15-13(7-11)9-14-8-12(2)17(18(3)4)10-16(14)15;1-10-5-6-15-12(7-10)17-13-8-11(2)14(18(3)4)9-16(13)19-15;2*1-10-5-6-12-13-9-14(17(3)4)11(2)8-16(13)18-15(12)7-10;1-6-5-8(13(3)4)7(2)10-9(6)11-14-12-10;1-7-5-9(11(3)4)8(2)10-6-7;1-6-5-9-7(2)8(10-6)11(3)4;1-6-5-8(9(3)4)7(2)10-6;1-5-8-6(2)10-7(9-5)11(3)4;1-5-7(9(3)4)8-6(2)10-5;11*1-2/h5-9H,1-4H3;5-8,10H,9H2,1-4H3;5-9,17H,1-4H3;2*5-9H,1-4H3;5H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;1-4H3;1-4H3;11*1H3.

What are the key properties of bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine?

bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine has a molecular weight of 3254.50 g/mol, XLogP of 41.98, 11 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bromomethane;3-(dimethylamino)-2,7-dimethylfluoren-9-one;N,N,4,7-tetramethyl-2,1,3-benzothiadiazol-5-amine;N,N,3,7-tetramethyldibenzofuran-2-amine;N,N,3,7-tetramethyldibenzothiophen-2-amine;N,N,2,7-tetramethyl-9H-fluoren-3-amine;N,N,2,8-tetramethyl-10H-phenoxazin-3-amine;N,N,3,6-tetramethylpyrazin-2-amine;N,N,2,5-tetramethylpyridin-3-amine;N,N,2,5-tetramethyl-1,3-thiazol-4-amine;N,N,2,5-tetramethylthiophen-3-amine;N,N,4,6-tetramethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 159408878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).