6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone

C135H134Cl3FN4O6S2 — CID 159203994

IUPAC6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone
SMILESCC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1ccc(C(=O)c2cccs2)cc1.CC(C)c1ccc(N2Cc3ccccc3C2=O)cc1.CC(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.CC(C)c1cccc(C(=O)c2ccccc2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC1CCn2c(C(=O)c3ccccc3)ccc21.CCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17NO.C16H16O.C15H14ClN.C15H15F.C15H15NO.C15H16O.C14H13Cl2N.2C14H14OS/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17(18)19;1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13;1-9(2)10-3-5-12-13-8-11(16)4-6-14(13)17-15(12)7-10;1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;1-11-9-10-16-13(11)7-8-14(16)15(17)12-5-3-2-4-6-12;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-2-10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16;1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11/h3-10,12H,11H2,1-2H3;3-12H,1-2H3;3-9,17H,1-2H3;3-11H,1-2H3;2-8,11H,9-10H2,1H3;3-12H,1-2H3;3-9,17H,2H2,1H3;2*3-10H,1-2H3
InChIKeyKPQIXTHDTYTAFZ-UHFFFAOYSA-N
MW2098.07 g/mol
LogP39.06
Rot. Bonds22

About 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone

6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone (PubChem CID 159203994) has the molecular formula C135H134Cl3FN4O6S2 and a molecular weight of 2098.07 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone
PubChem CID159203994
Molecular FormulaC135H134Cl3FN4O6S2
Molecular Weight2098.07 g/mol
Exact Mass2094.88
IUPAC Name6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone
SMILESCC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1ccc(C(=O)c2cccs2)cc1.CC(C)c1ccc(N2Cc3ccccc3C2=O)cc1.CC(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.CC(C)c1cccc(C(=O)c2ccccc2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC1CCn2c(C(=O)c3ccccc3)ccc21.CCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17NO.C16H16O.C15H14ClN.C15H15F.C15H15NO.C15H16O.C14H13Cl2N.2C14H14OS/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17(18)19;1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13;1-9(2)10-3-5-12-13-8-11(16)4-6-14(13)17-15(12)7-10;1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;1-11-9-10-16-13(11)7-8-14(16)15(17)12-5-3-2-4-6-12;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-2-10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16;1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11/h3-10,12H,11H2,1-2H3;3-12H,1-2H3;3-9,17H,1-2H3;3-11H,1-2H3;2-8,11H,9-10H2,1H3;3-12H,1-2H3;3-9,17H,2H2,1H3;2*3-10H,1-2H3
InChIKeyKPQIXTHDTYTAFZ-UHFFFAOYSA-N
XLogP39.06
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms151
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002098.07
LogP ≤ 539.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone (CID 159203994) is 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone is CC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1ccc(C(=O)c2cccs2)cc1.CC(C)c1ccc(N2Cc3ccccc3C2=O)cc1.CC(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.CC(C)c1cccc(C(=O)c2ccccc2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC1CCn2c(C(=O)c3ccccc3)ccc21.CCc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone?
The InChIKey is KPQIXTHDTYTAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.C16H16O.C15H14ClN.C15H15F.C15H15NO.C15H16O.C14H13Cl2N.2C14H14OS/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17(18)19;1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13;1-9(2)10-3-5-12-13-8-11(16)4-6-14(13)17-15(12)7-10;1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12;1-11-9-10-16-13(11)7-8-14(16)15(17)12-5-3-2-4-6-12;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-2-10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16;1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11/h3-10,12H,11H2,1-2H3;3-12H,1-2H3;3-9,17H,1-2H3;3-11H,1-2H3;2-8,11H,9-10H2,1H3;3-12H,1-2H3;3-9,17H,2H2,1H3;2*3-10H,1-2H3.
What are the key properties of 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone?
6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone has a molecular weight of 2098.07 g/mol, XLogP of 39.06, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;(4-propan-2-ylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 159203994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).