6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane

C90H60BrIN4O4 — CID 167575398

IUPAC6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane
SMILESBrc1cccc(-n2c3ccccc3c3c4ccccc4oc32)c1.C.CI.c1cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc(-n2c3ccccc3c3c4ccccc4oc32)c1.c1ccc2c(c1)[nH]c1ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C44H26N2O2.C24H15NO.C20H12BrNO.CH3I.CH4/c1-5-16-37-31(12-1)35-24-27(28-21-23-42-36(25-28)32-13-3-7-18-40(32)47-42)20-22-39(35)45(37)29-10-9-11-30(26-29)46-38-17-6-2-14-33(38)43-34-15-4-8-19-41(34)48-44(43)46;1-3-7-21-17(5-1)19-13-15(9-11-22(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-23(18)26-24;21-13-6-5-7-14(12-13)22-17-10-3-1-8-15(17)19-16-9-2-4-11-18(16)23-20(19)22;1-2;/h1-26H;1-14,25H;1-12H;1H3;1H4
InChIKeyGLNINYSPIMTDCO-UHFFFAOYSA-N
MW1468.30 g/mol
LogP27.06
Rot. Bonds5

About 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane

6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane (PubChem CID 167575398) has the molecular formula C90H60BrIN4O4 and a molecular weight of 1468.30 g/mol. Its IUPAC name is 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane.

Molecular Properties

Compound Name6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane
PubChem CID167575398
Molecular FormulaC90H60BrIN4O4
Molecular Weight1468.30 g/mol
Exact Mass1466.28
IUPAC Name6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane
SMILESBrc1cccc(-n2c3ccccc3c3c4ccccc4oc32)c1.C.CI.c1cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc(-n2c3ccccc3c3c4ccccc4oc32)c1.c1ccc2c(c1)[nH]c1ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C44H26N2O2.C24H15NO.C20H12BrNO.CH3I.CH4/c1-5-16-37-31(12-1)35-24-27(28-21-23-42-36(25-28)32-13-3-7-18-40(32)47-42)20-22-39(35)45(37)29-10-9-11-30(26-29)46-38-17-6-2-14-33(38)43-34-15-4-8-19-41(34)48-44(43)46;1-3-7-21-17(5-1)19-13-15(9-11-22(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-23(18)26-24;21-13-6-5-7-14(12-13)22-17-10-3-1-8-15(17)19-16-9-2-4-11-18(16)23-20(19)22;1-2;/h1-26H;1-14,25H;1-12H;1H3;1H4
InChIKeyGLNINYSPIMTDCO-UHFFFAOYSA-N
XLogP27.06
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.30
LogP ≤ 527.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane?
The IUPAC name of 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane (CID 167575398) is 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane.
What is the SMILES notation for 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane?
The canonical SMILES for 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane is Brc1cccc(-n2c3ccccc3c3c4ccccc4oc32)c1.C.CI.c1cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc(-n2c3ccccc3c3c4ccccc4oc32)c1.c1ccc2c(c1)[nH]c1ccc(-c3ccc4oc5ccccc5c4c3)cc12.
What is the InChIKey of 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane?
The InChIKey is GLNINYSPIMTDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2.C24H15NO.C20H12BrNO.CH3I.CH4/c1-5-16-37-31(12-1)35-24-27(28-21-23-42-36(25-28)32-13-3-7-18-40(32)47-42)20-22-39(35)45(37)29-10-9-11-30(26-29)46-38-17-6-2-14-33(38)43-34-15-4-8-19-41(34)48-44(43)46;1-3-7-21-17(5-1)19-13-15(9-11-22(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-23(18)26-24;21-13-6-5-7-14(12-13)22-17-10-3-1-8-15(17)19-16-9-2-4-11-18(16)23-20(19)22;1-2;/h1-26H;1-14,25H;1-12H;1H3;1H4.
What are the key properties of 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane?
6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane has a molecular weight of 1468.30 g/mol, XLogP of 27.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-[1]benzofuro[2,3-b]indole;3-dibenzofuran-2-yl-9H-carbazole;6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;iodomethane;methane is sourced from PubChem (CID 167575398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).