(9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone

C131H110F4N6O7S — CID 165010789

IUPAC(9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cccc(C)c3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3F)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(C)F)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cccs3)ccc21
InChIInChI=1S/C25H22F3NO2.3C22H19NO.C21H16FNO.C19H15NOS/c1-3-29-21-10-6-4-8-18(21)20-14-17(12-13-22(20)29)24(30)19-9-5-7-11-23(19)31-15-25(27,28)16(2)26;1-3-23-20-10-5-4-9-18(20)19-14-17(11-12-21(19)23)22(24)16-8-6-7-15(2)13-16;1-3-23-20-11-7-6-10-18(20)19-14-16(12-13-21(19)23)22(24)17-9-5-4-8-15(17)2;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;1-2-23-19-10-6-4-7-15(19)17-13-14(11-12-20(17)23)21(24)16-8-3-5-9-18(16)22;1-2-20-16-7-4-3-6-14(16)15-12-13(9-10-17(15)20)19(21)18-8-5-11-22-18/h4-14,16H,3,15H2,1-2H3;3*4-14H,3H2,1-2H3;3-13H,2H2,1H3;3-12H,2H2,1H3
InChIKeyJRAYZRGEOSEPIO-UHFFFAOYSA-N
MW1988.41 g/mol
LogP32.77
Rot. Bonds22

About (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone

(9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone (PubChem CID 165010789) has the molecular formula C131H110F4N6O7S and a molecular weight of 1988.41 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone
PubChem CID165010789
Molecular FormulaC131H110F4N6O7S
Molecular Weight1988.41 g/mol
Exact Mass1986.81
IUPAC Name(9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cccc(C)c3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3F)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(C)F)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cccs3)ccc21
InChIInChI=1S/C25H22F3NO2.3C22H19NO.C21H16FNO.C19H15NOS/c1-3-29-21-10-6-4-8-18(21)20-14-17(12-13-22(20)29)24(30)19-9-5-7-11-23(19)31-15-25(27,28)16(2)26;1-3-23-20-10-5-4-9-18(20)19-14-17(11-12-21(19)23)22(24)16-8-6-7-15(2)13-16;1-3-23-20-11-7-6-10-18(20)19-14-16(12-13-21(19)23)22(24)17-9-5-4-8-15(17)2;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;1-2-23-19-10-6-4-7-15(19)17-13-14(11-12-20(17)23)21(24)16-8-3-5-9-18(16)22;1-2-20-16-7-4-3-6-14(16)15-12-13(9-10-17(15)20)19(21)18-8-5-11-22-18/h4-14,16H,3,15H2,1-2H3;3*4-14H,3H2,1-2H3;3-13H,2H2,1H3;3-12H,2H2,1H3
InChIKeyJRAYZRGEOSEPIO-UHFFFAOYSA-N
XLogP32.77
TPSA141.23 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.41
LogP ≤ 532.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone with MolForge

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Related Compounds

[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 87281148
[(E)-[[9-ethyl-6-[2-fluoro-4-(thiophen-2-ylmethoxy)benzoyl]carbazol-3-yl]-phenylmethylidene]amino] acetate
CID 89322408
[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)-[[11-(2-ethylhexyl)-5-(2-methylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 89707525
[(E)-[[11-(2-ethylhexyl)-5-(thiophene-2-carbonyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 89707531
[2-[6-[2-[9-Ethyl-6-(2,4,6-trimethylbenzoyl)carbazole-3-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluoro-hexoxy]phenyl]-[9-ethyl-6-(2,4,6-trimethylbenzoyl)-carbazol-3-yl]methanone
CID 90011335
[9-ethyl-6-[C-[2-[6-[2-[C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]-N-hydroxy-carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluoro-hexoxy]phenyl]-N-hydroxy-carbonimidoyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone
CID 90011841
[9-ethyl-6-[(E)-C-[2-[6-[2-[(E)-C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]-N-hydroxycarbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-N-hydroxycarbonimidoyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone
CID 117932065
[(E)-[[2-[6-[2-[(E)-N-acetyloxy-C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]methylidene]amino] acetate
CID 117932077
[9-ethyl-6-[(E)-C-[2-[6-[2-[(E)-C-[9-ethyl-6-(2,4,6-trimethylbenzoyl)carbazol-3-yl]-N-methoxycarbonimidoyl]phenoxy]-2,2,5,5-tetrafluorohexoxy]phenyl]-N-methoxycarbonimidoyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone
CID 118629543
(3Z,5Z)-1-[11-(2-ethylhexyl)-8-[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]benzoyl]benzo[a]carbazol-5-yl]-3,5-dimethyl-2-methylideneocta-3,5-dien-1-one
CID 122468608
[[[11-(2-Ethylhexyl)-5-[(2-methylphenyl)methyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 123229889

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone?
The IUPAC name of (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone (CID 165010789) is (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone?
The canonical SMILES for (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone is CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cccc(C)c3)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3F)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(C)F)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cccs3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone?
The InChIKey is JRAYZRGEOSEPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO2.3C22H19NO.C21H16FNO.C19H15NOS/c1-3-29-21-10-6-4-8-18(21)20-14-17(12-13-22(20)29)24(30)19-9-5-7-11-23(19)31-15-25(27,28)16(2)26;1-3-23-20-10-5-4-9-18(20)19-14-17(11-12-21(19)23)22(24)16-8-6-7-15(2)13-16;1-3-23-20-11-7-6-10-18(20)19-14-16(12-13-21(19)23)22(24)17-9-5-4-8-15(17)2;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;1-2-23-19-10-6-4-7-15(19)17-13-14(11-12-20(17)23)21(24)16-8-3-5-9-18(16)22;1-2-20-16-7-4-3-6-14(16)15-12-13(9-10-17(15)20)19(21)18-8-5-11-22-18/h4-14,16H,3,15H2,1-2H3;3*4-14H,3H2,1-2H3;3-13H,2H2,1H3;3-12H,2H2,1H3.
What are the key properties of (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone?
(9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone has a molecular weight of 1988.41 g/mol, XLogP of 32.77, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone is sourced from PubChem (CID 165010789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).