6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;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

C120H119Cl3FN3O5S2 — CID 160744551

IUPAC6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;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.CCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17NO.C16H16O.C15H14ClN.C15H15F.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;1-12(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;3-12H,1-2H3;3-9,17H,2H2,1H3;2*3-10H,1-2H3
InChIKeyRWAKRIIOIPTLPQ-UHFFFAOYSA-N
MW1872.78 g/mol
LogP35.83
Rot. Bonds20

About 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;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;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 160744551) has the molecular formula C120H119Cl3FN3O5S2 and a molecular weight of 1872.78 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;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;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 CID160744551
Molecular FormulaC120H119Cl3FN3O5S2
Molecular Weight1872.78 g/mol
Exact Mass1869.76
IUPAC Name6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;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.CCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17NO.C16H16O.C15H14ClN.C15H15F.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;1-12(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;3-12H,1-2H3;3-9,17H,2H2,1H3;2*3-10H,1-2H3
InChIKeyRWAKRIIOIPTLPQ-UHFFFAOYSA-N
XLogP35.83
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001872.78
LogP ≤ 535.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;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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Related Compounds

6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone
CID 157231075
(4-chlorophenyl)-(3-ethyl-5-methoxyindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;(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 158676530
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;(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 158691761
6-chloro-2-(3-methylbutan-2-yl)-9H-carbazole;2,6-dichloro-N-[2-(2-methylpropyl)phenyl]aniline;2-fluoro-4-(3-methylbutan-2-yl)-1-phenylbenzene;2-methoxy-6-(2-methylpropyl)naphthalene;1-(3-methylbutan-2-yl)-3-phenoxybenzene;2-[4-(3-methylbutan-2-yl)phenyl]-3H-isoindol-1-one;[3-(3-methylbutan-2-yl)phenyl]-phenylmethanone;[4-(3-methylbutan-2-yl)phenyl]-thiophen-2-ylmethanone;[5-(3-methylbutan-2-yl)thiophen-2-yl]-phenylmethanone;phenyl-(7-propan-2-yl-6,7-dihydro-5H-pyrrolizin-3-yl)methanone
CID 158788123
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
6-chloro-2-methyl-9H-carbazole;3,8-dimethyl-6H-benzo[b][1]benzoxepin-5-one;2-methoxy-6-methylnaphthalene;7-methyl-5H-chromeno[2,3-b]pyridine;1-methyl-4-(2-methylpropyl)benzene;1-methyl-3-phenoxybenzene;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(2E)-2-[(4-methylphenyl)methylidene]cyclohexan-1-one;(3-methylphenyl)-phenylmethanone;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone
CID 161129821
6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-ethyl-6-methoxynaphthalene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;(7-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone;1-(2-methylpropyl)-4-propan-2-ylbenzene;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 161409475
6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;(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 161485290
2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-carbazol-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 161502565
6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-ethyl-6-methoxynaphthalene;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 161556391
6-chloro-2-(3-methylbutan-2-yl)-9H-carbazole;2,6-dichloro-N-[2-(2-methylpropyl)phenyl]aniline;2-fluoro-4-(3-methylbutan-2-yl)-1-phenylbenzene;1-(3-methylbutan-2-yl)-3-phenoxybenzene;2-[4-(3-methylbutan-2-yl)phenyl]-3H-isoindol-1-one;[3-(3-methylbutan-2-yl)phenyl]-phenylmethanone;[4-(3-methylbutan-2-yl)phenyl]-thiophen-2-ylmethanone;[5-(3-methylbutan-2-yl)thiophen-2-yl]-phenylmethanone;phenyl-(7-propan-2-yl-6,7-dihydro-5H-pyrrolizin-3-yl)methanone
CID 161868010

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;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;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 160744551) is 6-chloro-2-propan-2-yl-9H-carbazole;2,6-dichloro-N-(2-ethylphenyl)aniline;2-fluoro-1-phenyl-4-propan-2-ylbenzene;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;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;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.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;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 RWAKRIIOIPTLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.C16H16O.C15H14ClN.C15H15F.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;1-12(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;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;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;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 1872.78 g/mol, XLogP of 35.83, 20 rotatable bonds, 2 hydrogen bond donors, and 8 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;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 160744551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).