[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone

C153H143F3N6O12 — CID 164995630

IUPAC[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3cc(C)cc(C(F)(F)F)c3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(CCC4COC(C)(C)O4)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(OC(C)COC)cc3C)ccc21.COCC(C)Oc1ccc(C(=O)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C30H27NO3.C29H31NO3.C26H27NO3.C23H18F3NO.C23H21NO.C22H19NO/c1-20-17-24(34-21(2)19-33-3)14-15-25(20)30(32)22-13-16-29-27(18-22)26-11-7-8-12-28(26)31(29)23-9-5-4-6-10-23;1-5-30-26-9-7-6-8-24(26)25-17-21(12-15-27(25)30)28(31)23-14-11-20(16-19(23)2)10-13-22-18-32-29(3,4)33-22;1-5-27-24-9-7-6-8-22(24)23-15-19(10-13-25(23)27)26(28)21-12-11-20(14-17(21)2)30-18(3)16-29-4;1-3-27-20-7-5-4-6-18(20)19-13-15(8-9-21(19)27)22(28)16-10-14(2)11-17(12-16)23(24,25)26;1-4-24-21-8-6-5-7-19(21)20-14-17(10-12-22(20)24)23(25)18-11-9-15(2)13-16(18)3;1-3-23-20-7-5-4-6-18(20)19-14-17(12-13-21(19)23)22(24)16-10-8-15(2)9-11-16/h4-18,21H,19H2,1-3H3;6-9,11-12,14-17,22H,5,10,13,18H2,1-4H3;6-15,18H,5,16H2,1-4H3;4-13H,3H2,1-2H3;5-14H,4H2,1-3H3;4-14H,3H2,1-2H3
InChIKeyHNCOFYIRQAHENJ-UHFFFAOYSA-N
MW2314.85 g/mol
LogP36.33
Rot. Bonds29

About [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone

[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone (PubChem CID 164995630) has the molecular formula C153H143F3N6O12 and a molecular weight of 2314.85 g/mol. Its IUPAC name is [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone
PubChem CID164995630
Molecular FormulaC153H143F3N6O12
Molecular Weight2314.85 g/mol
Exact Mass2313.07
IUPAC Name[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3cc(C)cc(C(F)(F)F)c3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(CCC4COC(C)(C)O4)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(OC(C)COC)cc3C)ccc21.COCC(C)Oc1ccc(C(=O)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C30H27NO3.C29H31NO3.C26H27NO3.C23H18F3NO.C23H21NO.C22H19NO/c1-20-17-24(34-21(2)19-33-3)14-15-25(20)30(32)22-13-16-29-27(18-22)26-11-7-8-12-28(26)31(29)23-9-5-4-6-10-23;1-5-30-26-9-7-6-8-24(26)25-17-21(12-15-27(25)30)28(31)23-14-11-20(16-19(23)2)10-13-22-18-32-29(3,4)33-22;1-5-27-24-9-7-6-8-22(24)23-15-19(10-13-25(23)27)26(28)21-12-11-20(14-17(21)2)30-18(3)16-29-4;1-3-27-20-7-5-4-6-18(20)19-13-15(8-9-21(19)27)22(28)16-10-14(2)11-17(12-16)23(24,25)26;1-4-24-21-8-6-5-7-19(21)20-14-17(10-12-22(20)24)23(25)18-11-9-15(2)13-16(18)3;1-3-23-20-7-5-4-6-18(20)19-14-17(12-13-21(19)23)22(24)16-10-8-15(2)9-11-16/h4-18,21H,19H2,1-3H3;6-9,11-12,14-17,22H,5,10,13,18H2,1-4H3;6-15,18H,5,16H2,1-4H3;4-13H,3H2,1-2H3;5-14H,4H2,1-3H3;4-14H,3H2,1-2H3
InChIKeyHNCOFYIRQAHENJ-UHFFFAOYSA-N
XLogP36.33
TPSA187.38 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002314.85
LogP ≤ 536.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone with MolForge

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Related Compounds

[(E)-1-[6-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-2-(trifluoromethyl)benzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] propanoate
CID 59012240
[(E)-1-[9-ethyl-6-[4-[2-(oxolan-2-yl)ethoxy]-2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] propanoate
CID 59012251
[1-[6-[4-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethoxy]-2-(trifluoromethyl)benzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] propanoate
CID 72489470
[1-[9-Ethyl-6-[4-[2-(oxolan-2-yl)ethoxy]-2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] propanoate
CID 72489479
[1-[6-[4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 72489482
[(E)-1-[9-ethyl-6-[4-[2-(oxolan-2-yl)ethoxy]-2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethylideneamino] acetate
CID 88046443
1-{11-(2-ethylhexyl)-5-[4-(6-{4-[11-(2-ethylhexyl)-8-(3,5,5-trimethyl-hexanoyl)-11H-benzo[a]carbazole-5-carbonyl]-phenoxy}-2,2,3,3,4,4,5,5-octafluoro-hexyloxy)-benzoyl]-11H-benzo[a]carbazol-8-yl}-3,5,5-trimethyl-hexan-1-one
CID 89627666
[(Z)-[[11-[6-[8-[(Z)-N-acetyloxy-C-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]carbonimidoyl]-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-11-yl]hexyl]-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 89627680
[2-[6-[2-[11-(2-Ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazole-8-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]methanone
CID 89627733
[(E)-[1-[5-[4-[6-[4-[8-[(E)-N-acetyloxy-C-(2,4,4-trimethylpentyl)carbonimidoyl]-11-(2-ethylhexyl)benzo[a]carbazole-5-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]benzoyl]-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-3,5,5-trimethylhexylidene]amino] acetate
CID 89627734
[11-(2-ethylhexyl)-8-[(E)-C-[2-[6-[2-[(E)-C-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-N-hydroxycarbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-N-hydroxycarbonimidoyl]benzo[a]carbazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 89627735
[4-[6-[4-[11-(2-ethylhexyl)-8-[(E)-N-hydroxy-C-(2,4,4-trimethylpentyl)carbonimidoyl]benzo[a]carbazole-5-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[11-(2-ethylhexyl)-8-[(E)-N-hydroxy-C-(2,4,4-trimethylpentyl)carbonimidoyl]benzo[a]carbazol-5-yl]methanone
CID 89628068

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone?
The IUPAC name of [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone (CID 164995630) is [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone?
The canonical SMILES for [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone is CCn1c2ccccc2c2cc(C(=O)c3cc(C)cc(C(F)(F)F)c3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(CCC4COC(C)(C)O4)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(OC(C)COC)cc3C)ccc21.COCC(C)Oc1ccc(C(=O)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.
What is the InChIKey of [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone?
The InChIKey is HNCOFYIRQAHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO3.C29H31NO3.C26H27NO3.C23H18F3NO.C23H21NO.C22H19NO/c1-20-17-24(34-21(2)19-33-3)14-15-25(20)30(32)22-13-16-29-27(18-22)26-11-7-8-12-28(26)31(29)23-9-5-4-6-10-23;1-5-30-26-9-7-6-8-24(26)25-17-21(12-15-27(25)30)28(31)23-14-11-20(16-19(23)2)10-13-22-18-32-29(3,4)33-22;1-5-27-24-9-7-6-8-22(24)23-15-19(10-13-25(23)27)26(28)21-12-11-20(14-17(21)2)30-18(3)16-29-4;1-3-27-20-7-5-4-6-18(20)19-13-15(8-9-21(19)27)22(28)16-10-14(2)11-17(12-16)23(24,25)26;1-4-24-21-8-6-5-7-19(21)20-14-17(10-12-22(20)24)23(25)18-11-9-15(2)13-16(18)3;1-3-23-20-7-5-4-6-18(20)19-14-17(12-13-21(19)23)22(24)16-10-8-15(2)9-11-16/h4-18,21H,19H2,1-3H3;6-9,11-12,14-17,22H,5,10,13,18H2,1-4H3;6-15,18H,5,16H2,1-4H3;4-13H,3H2,1-2H3;5-14H,4H2,1-3H3;4-14H,3H2,1-2H3.
What are the key properties of [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone?
[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone has a molecular weight of 2314.85 g/mol, XLogP of 36.33, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2-methylphenyl]-(9-ethylcarbazol-3-yl)methanone;(2,4-dimethylphenyl)-(9-ethylcarbazol-3-yl)methanone;(9-ethylcarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone is sourced from PubChem (CID 164995630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).