(6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane

C136H145Br2N25O8 — CID 157335496

About (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane

(6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane (PubChem CID 157335496) has the molecular formula C136H145Br2N25O8 and a molecular weight of 2417.63 g/mol. Its IUPAC name is (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane.

Molecular Properties

• Compound Name: (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane
• PubChem CID: 157335496
• Molecular Formula: C136H145Br2N25O8
• Molecular Weight: 2417.63 g/mol
• Exact Mass: 2414.01
• IUPAC Name: (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane
• SMILES: C.[C-]#[N+]C1=C[C@]2(C)C3=C(CC[C@H]2C(C)(C)C1=O)C(=C)N(C)C(C)=N3.[C-]#[N+]C1=C[C@]2(C)c3[nH]c(=O)ccc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4c(-c5ccccc5)cnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4c(Br)cnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4ccnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nc(C)nc(N4CCCCC4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nc4c(Br)cnn4cc3CC[C@H]2C(C)(C)C1=O
• InChI: InChI=1S/C24H22N4O.C21H26N4O.C19H23N3O.2C18H17BrN4O.C18H18N4O.C17H18N2O2.CH4/c1-23(2)19-11-10-16-13-26-22-17(15-8-6-5-7-9-15)14-27-28(22)20(16)24(19,3)12-18(25-4)21(23)29;1-13-16-9-8-15-19(21(16,3)12-17(22-4)18(13)26)23-14(2)24-20(15)25-10-6-5-7-11-25;1-11-13-8-9-15-18(3,4)17(23)14(20-6)10-19(15,5)16(13)21-12(2)22(11)7;1-17(2)13-6-5-10-9-23-16(11(19)8-21-23)22-14(10)18(13,3)7-12(20-4)15(17)24;1-17(2)13-6-5-10-8-21-16-11(19)9-22-23(16)14(10)18(13,3)7-12(20-4)15(17)24;1-17(2)13-6-5-11-10-20-14-7-8-21-22(14)15(11)18(13,3)9-12(19-4)16(17)23;1-16(2)12-7-5-10-6-8-13(20)19-14(10)17(12,3)9-11(18-4)15(16)21;/h5-9,12-14,19H,10-11H2,1-3H3;12-13,16H,5-11H2,1-3H3;10,15H,1,8-9H2,2-5,7H3;2*7-9,13H,5-6H2,1-3H3;7-10,13H,5-6H2,1-3H3;6,8-9,12H,5,7H2,1-3H3,(H,19,20);1H4/t19-,24-;13-,16-,21-;15-,19-;3*13-,18-;12-,17-;/m0000000./s1
• InChIKey: BFUDUFIMYLOXJZ-TUCBKHESSA-N
• XLogP: 25.84
• TPSA: 348.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 2
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.63
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane?

The IUPAC name of (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane (CID 157335496) is (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane.

What is the SMILES notation for (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane?

The canonical SMILES for (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane is C.[C-]#[N+]C1=C[C@]2(C)C3=C(CC[C@H]2C(C)(C)C1=O)C(=C)N(C)C(C)=N3.[C-]#[N+]C1=C[C@]2(C)c3[nH]c(=O)ccc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4c(-c5ccccc5)cnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4c(Br)cnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3c(cnc4ccnn34)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nc(C)nc(N4CCCCC4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nc4c(Br)cnn4cc3CC[C@H]2C(C)(C)C1=O.

What is the InChIKey of (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane?

The InChIKey is BFUDUFIMYLOXJZ-TUCBKHESSA-N. The full InChI is InChI=1S/C24H22N4O.C21H26N4O.C19H23N3O.2C18H17BrN4O.C18H18N4O.C17H18N2O2.CH4/c1-23(2)19-11-10-16-13-26-22-17(15-8-6-5-7-9-15)14-27-28(22)20(16)24(19,3)12-18(25-4)21(23)29;1-13-16-9-8-15-19(21(16,3)12-17(22-4)18(13)26)23-14(2)24-20(15)25-10-6-5-7-11-25;1-11-13-8-9-15-18(3,4)17(23)14(20-6)10-19(15,5)16(13)21-12(2)22(11)7;1-17(2)13-6-5-10-9-23-16(11(19)8-21-23)22-14(10)18(13,3)7-12(20-4)15(17)24;1-17(2)13-6-5-10-8-21-16-11(19)9-22-23(16)14(10)18(13,3)7-12(20-4)15(17)24;1-17(2)13-6-5-11-10-20-14-7-8-21-22(14)15(11)18(13,3)9-12(19-4)16(17)23;1-16(2)12-7-5-10-6-8-13(20)19-14(10)17(12,3)9-11(18-4)15(16)21;/h5-9,12-14,19H,10-11H2,1-3H3;12-13,16H,5-11H2,1-3H3;10,15H,1,8-9H2,2-5,7H3;2*7-9,13H,5-6H2,1-3H3;7-10,13H,5-6H2,1-3H3;6,8-9,12H,5,7H2,1-3H3,(H,19,20);1H4/t19-,24-;13-,16-,21-;15-,19-;3*13-,18-;12-,17-;/m0000000./s1.

What are the key properties of (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane?

(6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane has a molecular weight of 2417.63 g/mol, XLogP of 25.84, 2 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane is sourced from PubChem (CID 157335496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).