[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone

C328H307F6N13O22 — CID 165028851

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone
SMILESCCCCC(CC)Cn1c2ccccc2c2cc(C(=O)c3cccc(C(=O)c4ccc5c(c4)c4ccccc4n5CC(CC)CCCC)c3)ccc21.CCn1c2ccc(C(=O)CCC3CCCC3)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cc(C(F)(F)F)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(OC(C)COC)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc4ccccc4c3)ccc21.COCC(C)Oc1ccc(C(=O)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1ccccc1C(=O)c1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C49H46N2O2.C48H52N2O2.C30H27NO3.C30H31NO2.C28H29NO4.C26H27NO3.C25H19NO.C24H21NO2.C23H15F6NO.C23H21NO.C22H19NO/c1-34-18-8-10-20-38(34)48(52)36-26-28-46-42(32-36)40-22-12-14-24-44(40)50(46)30-16-6-4-3-5-7-17-31-51-45-25-15-13-23-41(45)43-33-37(27-29-47(43)51)49(53)39-21-11-9-19-35(39)2;1-5-9-16-33(7-3)31-49-43-22-13-11-20-39(43)41-29-37(24-26-45(41)49)47(51)35-18-15-19-36(28-35)48(52)38-25-27-46-42(30-38)40-21-12-14-23-44(40)50(46)32-34(8-4)17-10-6-2;1-20-17-24(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;1-3-31-27-15-13-22(29(32)17-12-21-9-5-6-10-21)18-25(27)26-19-23(14-16-28(26)31)30(33)24-11-7-4-8-20(24)2;1-5-29-25-9-7-6-8-23(25)24-15-19(10-13-26(24)29)27(30)22-12-11-20(14-18(22)2)31-16-21-17-32-28(3,4)33-21;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;1-2-26-23-10-6-5-9-21(23)22-16-20(13-14-24(22)26)25(27)19-12-11-17-7-3-4-8-18(17)15-19;1-4-25-22-11-9-17(16(3)26)13-20(22)21-14-18(10-12-23(21)25)24(27)19-8-6-5-7-15(19)2;1-2-30-19-6-4-3-5-17(19)18-11-13(7-8-20(18)30)21(31)14-9-15(22(24,25)26)12-16(10-14)23(27,28)29;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/h8-15,18-29,32-33H,3-7,16-17,30-31H2,1-2H3;11-15,18-30,33-34H,5-10,16-17,31-32H2,1-4H3;4-18,21H,19H2,1-3H3;4,7-8,11,13-16,18-19,21H,3,5-6,9-10,12,17H2,1-2H3;6-15,21H,5,16-17H2,1-4H3;6-15,18H,5,16H2,1-4H3;3-16H,2H2,1H3;5-14H,4H2,1-3H3;3-12H,2H2,1H3;5-14H,4H2,1-3H3;4-14H,3H2,1-2H3
InChIKeyMIAHWVYOXVSAES-UHFFFAOYSA-N
MW4897.12 g/mol
LogP80.96
Rot. Bonds73

About [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone

[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone (PubChem CID 165028851) has the molecular formula C328H307F6N13O22 and a molecular weight of 4897.12 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone
PubChem CID165028851
Molecular FormulaC328H307F6N13O22
Molecular Weight4897.12 g/mol
Exact Mass4893.32
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone
SMILESCCCCC(CC)Cn1c2ccccc2c2cc(C(=O)c3cccc(C(=O)c4ccc5c(c4)c4ccccc4n5CC(CC)CCCC)c3)ccc21.CCn1c2ccc(C(=O)CCC3CCCC3)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cc(C(F)(F)F)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(OC(C)COC)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc4ccccc4c3)ccc21.COCC(C)Oc1ccc(C(=O)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1ccccc1C(=O)c1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C49H46N2O2.C48H52N2O2.C30H27NO3.C30H31NO2.C28H29NO4.C26H27NO3.C25H19NO.C24H21NO2.C23H15F6NO.C23H21NO.C22H19NO/c1-34-18-8-10-20-38(34)48(52)36-26-28-46-42(32-36)40-22-12-14-24-44(40)50(46)30-16-6-4-3-5-7-17-31-51-45-25-15-13-23-41(45)43-33-37(27-29-47(43)51)49(53)39-21-11-9-19-35(39)2;1-5-9-16-33(7-3)31-49-43-22-13-11-20-39(43)41-29-37(24-26-45(41)49)47(51)35-18-15-19-36(28-35)48(52)38-25-27-46-42(30-38)40-21-12-14-23-44(40)50(46)32-34(8-4)17-10-6-2;1-20-17-24(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;1-3-31-27-15-13-22(29(32)17-12-21-9-5-6-10-21)18-25(27)26-19-23(14-16-28(26)31)30(33)24-11-7-4-8-20(24)2;1-5-29-25-9-7-6-8-23(25)24-15-19(10-13-26(24)29)27(30)22-12-11-20(14-18(22)2)31-16-21-17-32-28(3,4)33-21;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;1-2-26-23-10-6-5-9-21(23)22-16-20(13-14-24(22)26)25(27)19-12-11-17-7-3-4-8-18(17)15-19;1-4-25-22-11-9-17(16(3)26)13-20(22)21-14-18(10-12-23(21)25)24(27)19-8-6-5-7-15(19)2;1-2-30-19-6-4-3-5-17(19)18-11-13(7-8-20(18)30)21(31)14-9-15(22(24,25)26)12-16(10-14)23(27,28)29;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/h8-15,18-29,32-33H,3-7,16-17,30-31H2,1-2H3;11-15,18-30,33-34H,5-10,16-17,31-32H2,1-4H3;4-18,21H,19H2,1-3H3;4,7-8,11,13-16,18-19,21H,3,5-6,9-10,12,17H2,1-2H3;6-15,21H,5,16-17H2,1-4H3;6-15,18H,5,16H2,1-4H3;3-16H,2H2,1H3;5-14H,4H2,1-3H3;3-12H,2H2,1H3;5-14H,4H2,1-3H3;4-14H,3H2,1-2H3
InChIKeyMIAHWVYOXVSAES-UHFFFAOYSA-N
XLogP80.96
TPSA384.75 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds73
Heavy Atoms369
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004897.12
LogP ≤ 580.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)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
[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-[6-[4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 72489482
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
[(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
[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
[(Z)-[[5-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]benzoyl]-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 89707518
[(Z)-[[5-[4-(cyclopentylmethoxy)-2-methylbenzoyl]-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 89707519
[(E)-[[11-(2-ethylhexyl)-5-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]benzo[a]carbazol-8-yl]-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] acetate
CID 89707539
[(E)-[4-[6-[4-[11-(2-ethylhexyl)-8-[(Z)-N-hydroxy-C-(2,4,4-trimethylpentyl)carbonimidoyl]benzo[a]carbazole-5-carbonyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]methylideneamino] 2-[11-(2-ethylhexyl)-8-(3,5,5-trimethylhexanoyl)benzo[a]carbazol-5-yl]acetate
CID 117689216
[(E)-[[2-[6-[2-[(E)-N-acetyloxy-C-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]carbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]methylidene]amino] acetate
CID 117693108

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone (CID 165028851) is [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone is CCCCC(CC)Cn1c2ccccc2c2cc(C(=O)c3cccc(C(=O)c4ccc5c(c4)c4ccccc4n5CC(CC)CCCC)c3)ccc21.CCn1c2ccc(C(=O)CCC3CCCC3)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccc(C(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3cc(C(F)(F)F)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(OC(C)COC)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)ccc21.CCn1c2ccccc2c2cc(C(=O)c3ccc4ccccc4c3)ccc21.COCC(C)Oc1ccc(C(=O)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.Cc1ccccc1C(=O)c1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3C)ccc21.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone?
The InChIKey is MIAHWVYOXVSAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H46N2O2.C48H52N2O2.C30H27NO3.C30H31NO2.C28H29NO4.C26H27NO3.C25H19NO.C24H21NO2.C23H15F6NO.C23H21NO.C22H19NO/c1-34-18-8-10-20-38(34)48(52)36-26-28-46-42(32-36)40-22-12-14-24-44(40)50(46)30-16-6-4-3-5-7-17-31-51-45-25-15-13-23-41(45)43-33-37(27-29-47(43)51)49(53)39-21-11-9-19-35(39)2;1-5-9-16-33(7-3)31-49-43-22-13-11-20-39(43)41-29-37(24-26-45(41)49)47(51)35-18-15-19-36(28-35)48(52)38-25-27-46-42(30-38)40-21-12-14-23-44(40)50(46)32-34(8-4)17-10-6-2;1-20-17-24(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;1-3-31-27-15-13-22(29(32)17-12-21-9-5-6-10-21)18-25(27)26-19-23(14-16-28(26)31)30(33)24-11-7-4-8-20(24)2;1-5-29-25-9-7-6-8-23(25)24-15-19(10-13-26(24)29)27(30)22-12-11-20(14-18(22)2)31-16-21-17-32-28(3,4)33-21;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;1-2-26-23-10-6-5-9-21(23)22-16-20(13-14-24(22)26)25(27)19-12-11-17-7-3-4-8-18(17)15-19;1-4-25-22-11-9-17(16(3)26)13-20(22)21-14-18(10-12-23(21)25)24(27)19-8-6-5-7-15(19)2;1-2-30-19-6-4-3-5-17(19)18-11-13(7-8-20(18)30)21(31)14-9-15(22(24,25)26)12-16(10-14)23(27,28)29;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/h8-15,18-29,32-33H,3-7,16-17,30-31H2,1-2H3;11-15,18-30,33-34H,5-10,16-17,31-32H2,1-4H3;4-18,21H,19H2,1-3H3;4,7-8,11,13-16,18-19,21H,3,5-6,9-10,12,17H2,1-2H3;6-15,21H,5,16-17H2,1-4H3;6-15,18H,5,16H2,1-4H3;3-16H,2H2,1H3;5-14H,4H2,1-3H3;3-12H,2H2,1H3;5-14H,4H2,1-3H3;4-14H,3H2,1-2H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone has a molecular weight of 4897.12 g/mol, XLogP of 80.96, 73 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone;3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-1-one;[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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)-naphthalen-2-ylmethanone;[3-[9-(2-ethylhexyl)carbazole-3-carbonyl]phenyl]-[9-(2-ethylhexyl)carbazol-3-yl]methanone;1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethanone;[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]-(9-phenylcarbazol-3-yl)methanone;[9-[9-[3-(2-methylbenzoyl)carbazol-9-yl]nonyl]carbazol-3-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 165028851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).