(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

C110H115Cl2FN4O5S — CID 162004545

IUPAC(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)C1=CC2Nc3ccc(Cl)cc3C2C=C1.CC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(-c2cn3ccccc3n2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1cccc(C(=O)c2ccccc2)c1.COc1ccc2c(c1)c(C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)C)ccc2c1.[H][H]
InChIInChI=1S/C20H20ClNO2.C16H16N2.C16H16O.C15H16ClN.C15H15F.C14H14OS.C14H16O.H2/c1-12(2)19-13(3)22(18-10-9-16(24-4)11-17(18)19)20(23)14-5-7-15(21)8-6-14;1-12(2)13-6-8-14(9-7-13)15-11-18-10-4-3-5-16(18)17-15;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;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11;/h5-12H,1-4H3;3-12H,1-2H3;3-12H,1-2H3;3-9,12,15,17H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;4-10H,1-3H3;1H
InChIKeyYSQQGKJDWJBWAU-UHFFFAOYSA-N
MW1695.12 g/mol
LogP30.90
Rot. Bonds16

About (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (PubChem CID 162004545) has the molecular formula C110H115Cl2FN4O5S and a molecular weight of 1695.12 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
PubChem CID162004545
Molecular FormulaC110H115Cl2FN4O5S
Molecular Weight1695.12 g/mol
Exact Mass1692.79
IUPAC Name(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)C1=CC2Nc3ccc(Cl)cc3C2C=C1.CC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(-c2cn3ccccc3n2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1cccc(C(=O)c2ccccc2)c1.COc1ccc2c(c1)c(C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)C)ccc2c1.[H][H]
InChIInChI=1S/C20H20ClNO2.C16H16N2.C16H16O.C15H16ClN.C15H15F.C14H14OS.C14H16O.H2/c1-12(2)19-13(3)22(18-10-9-16(24-4)11-17(18)19)20(23)14-5-7-15(21)8-6-14;1-12(2)13-6-8-14(9-7-13)15-11-18-10-4-3-5-16(18)17-15;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;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11;/h5-12H,1-4H3;3-12H,1-2H3;3-12H,1-2H3;3-9,12,15,17H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;4-10H,1-3H3;1H
InChIKeyYSQQGKJDWJBWAU-UHFFFAOYSA-N
XLogP30.90
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001695.12
LogP ≤ 530.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (CID 162004545) is (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is CC(C)C1=CC2Nc3ccc(Cl)cc3C2C=C1.CC(C)c1ccc(-c2ccccc2)c(F)c1.CC(C)c1ccc(-c2cn3ccccc3n2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1cccc(C(=O)c2ccccc2)c1.COc1ccc2c(c1)c(C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)C)ccc2c1.[H][H].
What is the InChIKey of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is YSQQGKJDWJBWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2.C16H16N2.C16H16O.C15H16ClN.C15H15F.C14H14OS.C14H16O.H2/c1-12(2)19-13(3)22(18-10-9-16(24-4)11-17(18)19)20(23)14-5-7-15(21)8-6-14;1-12(2)13-6-8-14(9-7-13)15-11-18-10-4-3-5-16(18)17-15;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;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11;/h5-12H,1-4H3;3-12H,1-2H3;3-12H,1-2H3;3-9,12,15,17H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;4-10H,1-3H3;1H.
What are the key properties of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 1695.12 g/mol, XLogP of 30.90, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9,9a-dihydro-4aH-carbazole;2-fluoro-1-phenyl-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylnaphthalene;molecular hydrogen;phenyl-(3-propan-2-ylphenyl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 162004545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).