8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine

C101H105Br4N11O6S — CID 159404594

About 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine

8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine (PubChem CID 159404594) has the molecular formula C101H105Br4N11O6S and a molecular weight of 1920.70 g/mol. Its IUPAC name is 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine.

Molecular Properties

• Compound Name: 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine
• PubChem CID: 159404594
• Molecular Formula: C101H105Br4N11O6S
• Molecular Weight: 1920.70 g/mol
• Exact Mass: 1915.47
• IUPAC Name: 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine
• SMILES: Brc1ccc2oc3c(c2c1)CCCC3Nc1ccccc1.C.C=C1CCCc2c1oc1ccc(Br)cc21.COC1CCCc2c1oc1ccc(Br)cc21.Cc1nnsc1C(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCCC4)cc32)c1.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCOCC4)cc32)c1
• InChI: InChI=1S/C20H23N3O.C20H23N3.C18H16BrNO.C16H15BrN4OS.C13H13BrO2.C13H11BrO.CH4/c1-2-9-23(8-1)19-5-3-4-16-17-14-15(22-10-12-24-13-11-22)6-7-18(17)21-20(16)19;1-2-11-22(10-1)15-8-9-18-17(14-15)16-6-5-7-19(20(16)21-18)23-12-3-4-13-23;19-12-9-10-17-15(11-12)14-7-4-8-16(18(14)21-17)20-13-5-2-1-3-6-13;1-8-15(23-21-20-8)16(22)19-13-4-2-3-10-11-7-9(17)5-6-12(11)18-14(10)13;1-15-12-4-2-3-9-10-7-8(14)5-6-11(10)16-13(9)12;1-8-3-2-4-10-11-7-9(14)5-6-12(11)15-13(8)10;/h1-2,6-9,14,19,21H,3-5,10-13H2;3-4,8-9,12-14,19,21H,1-2,5-7,10-11H2;1-3,5-6,9-11,16,20H,4,7-8H2;5-7,13,18H,2-4H2,1H3,(H,19,22);5-7,12H,2-4H2,1H3;5-7H,1-4H2;1H4
• InChIKey: LNUFABDTDBZQAY-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 188.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.70
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

The IUPAC name of 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine (CID 159404594) is 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine.

What is the SMILES notation for 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

The canonical SMILES for 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine is Brc1ccc2oc3c(c2c1)CCCC3Nc1ccccc1.C.C=C1CCCc2c1oc1ccc(Br)cc21.COC1CCCc2c1oc1ccc(Br)cc21.Cc1nnsc1C(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCCC4)cc32)c1.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCOCC4)cc32)c1.

What is the InChIKey of 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

The InChIKey is LNUFABDTDBZQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.C20H23N3.C18H16BrNO.C16H15BrN4OS.C13H13BrO2.C13H11BrO.CH4/c1-2-9-23(8-1)19-5-3-4-16-17-14-15(22-10-12-24-13-11-22)6-7-18(17)21-20(16)19;1-2-11-22(10-1)15-8-9-18-17(14-15)16-6-5-7-19(20(16)21-18)23-12-3-4-13-23;19-12-9-10-17-15(11-12)14-7-4-8-16(18(14)21-17)20-13-5-2-1-3-6-13;1-8-15(23-21-20-8)16(22)19-13-4-2-3-10-11-7-9(17)5-6-12(11)18-14(10)13;1-15-12-4-2-3-9-10-7-8(14)5-6-11(10)16-13(9)12;1-8-3-2-4-10-11-7-9(14)5-6-12(11)15-13(8)10;/h1-2,6-9,14,19,21H,3-5,10-13H2;3-4,8-9,12-14,19,21H,1-2,5-7,10-11H2;1-3,5-6,9-11,16,20H,4,7-8H2;5-7,13,18H,2-4H2,1H3,(H,19,22);5-7,12H,2-4H2,1H3;5-7H,1-4H2;1H4.

What are the key properties of 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine has a molecular weight of 1920.70 g/mol, XLogP of 27.21, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-4-methoxy-1,2,3,4-tetrahydrodibenzofuran;8-bromo-4-methylidene-2,3-dihydro-1H-dibenzofuran;8-bromo-N-phenyl-1,2,3,4-tetrahydrodibenzofuran-4-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylthiadiazole-5-carboxamide;methane;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine is sourced from PubChem (CID 159404594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).