5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene

C73H67Br6ClF2N2O3S6 — CID 162206031

IUPAC5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene
SMILESC=C(C)c1cccs1.CC1(c2ccc(C3Oc4cc(Br)cc(F)c4C4Cc5cc(Br)ccc5N43)s2)CC1.CC1(c2ccc(C=O)s2)CC1.CC1(c2cccs2)CC1.CC1(c2cccs2)CC1(Br)Br.Clc1cccs1.Oc1cc(Br)cc(F)c1C1Cc2cc(Br)ccc2N1
InChIInChI=1S/C23H18Br2FNOS.C14H10Br2FNO.C9H10OS.C8H8Br2S.C8H10S.C7H8S.C4H3ClS/c1-23(6-7-23)20-5-4-19(29-20)22-27-16-3-2-13(24)8-12(16)9-17(27)21-15(26)10-14(25)11-18(21)28-22;15-8-1-2-11-7(3-8)4-12(18-11)14-10(17)5-9(16)6-13(14)19;1-9(4-5-9)8-3-2-7(6-10)11-8;1-7(5-8(7,9)10)6-3-2-4-11-6;1-8(4-5-8)7-3-2-6-9-7;1-6(2)7-4-3-5-8-7;5-4-2-1-3-6-4/h2-5,8,10-11,17,22H,6-7,9H2,1H3;1-3,5-6,12,18-19H,4H2;2-3,6H,4-5H2,1H3;2-4H,5H2,1H3;2-3,6H,4-5H2,1H3;3-5H,1H2,2H3;1-3H
InChIKeyZSEUPQYMPGELCW-UHFFFAOYSA-N
MW1765.62 g/mol
LogP26.91
Rot. Bonds8

About 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene

5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene (PubChem CID 162206031) has the molecular formula C73H67Br6ClF2N2O3S6 and a molecular weight of 1765.62 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene
PubChem CID162206031
Molecular FormulaC73H67Br6ClF2N2O3S6
Molecular Weight1765.62 g/mol
Exact Mass1757.82
IUPAC Name5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene
SMILESC=C(C)c1cccs1.CC1(c2ccc(C3Oc4cc(Br)cc(F)c4C4Cc5cc(Br)ccc5N43)s2)CC1.CC1(c2ccc(C=O)s2)CC1.CC1(c2cccs2)CC1.CC1(c2cccs2)CC1(Br)Br.Clc1cccs1.Oc1cc(Br)cc(F)c1C1Cc2cc(Br)ccc2N1
InChIInChI=1S/C23H18Br2FNOS.C14H10Br2FNO.C9H10OS.C8H8Br2S.C8H10S.C7H8S.C4H3ClS/c1-23(6-7-23)20-5-4-19(29-20)22-27-16-3-2-13(24)8-12(16)9-17(27)21-15(26)10-14(25)11-18(21)28-22;15-8-1-2-11-7(3-8)4-12(18-11)14-10(17)5-9(16)6-13(14)19;1-9(4-5-9)8-3-2-7(6-10)11-8;1-7(5-8(7,9)10)6-3-2-4-11-6;1-8(4-5-8)7-3-2-6-9-7;1-6(2)7-4-3-5-8-7;5-4-2-1-3-6-4/h2-5,8,10-11,17,22H,6-7,9H2,1H3;1-3,5-6,12,18-19H,4H2;2-3,6H,4-5H2,1H3;2-4H,5H2,1H3;2-3,6H,4-5H2,1H3;3-5H,1H2,2H3;1-3H
InChIKeyZSEUPQYMPGELCW-UHFFFAOYSA-N
XLogP26.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.62
LogP ≤ 526.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene?
The IUPAC name of 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene (CID 162206031) is 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene.
What is the SMILES notation for 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene?
The canonical SMILES for 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene is C=C(C)c1cccs1.CC1(c2ccc(C3Oc4cc(Br)cc(F)c4C4Cc5cc(Br)ccc5N43)s2)CC1.CC1(c2ccc(C=O)s2)CC1.CC1(c2cccs2)CC1.CC1(c2cccs2)CC1(Br)Br.Clc1cccs1.Oc1cc(Br)cc(F)c1C1Cc2cc(Br)ccc2N1.
What is the InChIKey of 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene?
The InChIKey is ZSEUPQYMPGELCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Br2FNOS.C14H10Br2FNO.C9H10OS.C8H8Br2S.C8H10S.C7H8S.C4H3ClS/c1-23(6-7-23)20-5-4-19(29-20)22-27-16-3-2-13(24)8-12(16)9-17(27)21-15(26)10-14(25)11-18(21)28-22;15-8-1-2-11-7(3-8)4-12(18-11)14-10(17)5-9(16)6-13(14)19;1-9(4-5-9)8-3-2-7(6-10)11-8;1-7(5-8(7,9)10)6-3-2-4-11-6;1-8(4-5-8)7-3-2-6-9-7;1-6(2)7-4-3-5-8-7;5-4-2-1-3-6-4/h2-5,8,10-11,17,22H,6-7,9H2,1H3;1-3,5-6,12,18-19H,4H2;2-3,6H,4-5H2,1H3;2-4H,5H2,1H3;2-3,6H,4-5H2,1H3;3-5H,1H2,2H3;1-3H.
What are the key properties of 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene?
5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene has a molecular weight of 1765.62 g/mol, XLogP of 26.91, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene is sourced from PubChem (CID 162206031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).