[6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid

C132H158N8O10+4 — CID 165031649

IUPAC[6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1.CCCc1cc2c(cc1C)C(c1ccc(C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.CCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCC(C)(C)C(C)C)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21.Cc1c2oc3c(C)c(N)ccc3c(-c3ccc(C(C)C)cc3C(=O)O)c-2ccc1=[NH2+]
InChIInChI=1S/C42H59N3O.C35H36N2O3.C30H35NO3.C25H24N2O3/c1-12-44-35-24-22-31(4)27-33(35)41(8,9)37(44)19-15-13-16-20-38-42(10,11)34-28-32(5)23-25-36(34)45(38)26-18-14-17-21-39(46)43-29-40(6,7)30(2)3;1-20(2)21-11-12-24(27(17-21)35(38)39)30-28-18-22-7-3-13-36-15-5-9-25(31(22)36)33(28)40-34-26-10-6-16-37-14-4-8-23(32(26)37)19-29(30)34;1-7-9-21-15-27-24(12-18(21)5)29(22-11-10-20(17(3)4)14-23(22)30(32)33)25-13-19(6)26(31-8-2)16-28(25)34-27;1-12(2)15-5-6-16(19(11-15)25(28)29)22-17-7-9-20(26)13(3)23(17)30-24-14(4)21(27)10-8-18(22)24/h13,15-16,19-20,22-25,27-28,30H,12,14,17-18,21,26,29H2,1-11H3;11-12,17-20H,3-10,13-16H2,1-2H3;10-17,25,29H,7-9H2,1-6H3,(H,32,33);5-12,26H,27H2,1-4H3,(H,28,29)/p+4/b;;31-26+;
InChIKeyMTCNOIVCNGLCMA-SZNIEURFSA-R
MW2016.76 g/mol
LogP23.98
Rot. Bonds25

About [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid

[6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid (PubChem CID 165031649) has the molecular formula C132H158N8O10+4 and a molecular weight of 2016.76 g/mol. Its IUPAC name is [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name[6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid
PubChem CID165031649
Molecular FormulaC132H158N8O10+4
Molecular Weight2016.76 g/mol
Exact Mass2015.21
IUPAC Name[6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1.CCCc1cc2c(cc1C)C(c1ccc(C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.CCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCC(C)(C)C(C)C)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21.Cc1c2oc3c(C)c(N)ccc3c(-c3ccc(C(C)C)cc3C(=O)O)c-2ccc1=[NH2+]
InChIInChI=1S/C42H59N3O.C35H36N2O3.C30H35NO3.C25H24N2O3/c1-12-44-35-24-22-31(4)27-33(35)41(8,9)37(44)19-15-13-16-20-38-42(10,11)34-28-32(5)23-25-36(34)45(38)26-18-14-17-21-39(46)43-29-40(6,7)30(2)3;1-20(2)21-11-12-24(27(17-21)35(38)39)30-28-18-22-7-3-13-36-15-5-9-25(31(22)36)33(28)40-34-26-10-6-16-37-14-4-8-23(32(26)37)19-29(30)34;1-7-9-21-15-27-24(12-18(21)5)29(22-11-10-20(17(3)4)14-23(22)30(32)33)25-13-19(6)26(31-8-2)16-28(25)34-27;1-12(2)15-5-6-16(19(11-15)25(28)29)22-17-7-9-20(26)13(3)23(17)30-24-14(4)21(27)10-8-18(22)24/h13,15-16,19-20,22-25,27-28,30H,12,14,17-18,21,26,29H2,1-11H3;11-12,17-20H,3-10,13-16H2,1-2H3;10-17,25,29H,7-9H2,1-6H3,(H,32,33);5-12,26H,27H2,1-4H3,(H,28,29)/p+4/b;;31-26+;
InChIKeyMTCNOIVCNGLCMA-SZNIEURFSA-R
XLogP23.98
TPSA250.68 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.76
LogP ≤ 523.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid with MolForge

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Related Compounds

3-amino-6-azaniumylidene-9-[2-carboxy-4-(2,2,3-trimethylbutylcarbamoyl)phenyl]xanthene-4,5-disulfonate;[9-[2-carboxy-4-(2,2,3-trimethylbutylcarbamoyl)phenyl]-6-ethyl-2,7-dimethyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-1-[6-oxo-6-(2,2,3-trimethylbutylamino)hexyl]indol-1-ium-5-sulfonate;bis(2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-(2,2,3-trimethylbutylcarbamoyl)benzoic acid);[4-[[5-oxo-5-(2,2,3-trimethylbutylamino)pentyl]carbamoyl]phenyl]boronic acid;3-propoxy-N-(2,2,3-trimethylbutyl)propanamide;N-(2,2,3-trimethylbutyl)pentanamide
CID 157300034
[6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid
CID 161364714
2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-4-propan-2-ylbenzoic acid
CID 153385246
1-(6,13-dioxopentadecyl)-2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate
CID 167670631
4-[4-[[6-[2-[5-[1-ethyl-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]methyl]-3-hydroxy-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid
CID 72530920
8-[2-[5-(1-ethyl-3,3-dimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-2,2-dimethyloctan-3-one
CID 158109355
3-amino-6-azaniumylidene-9-[2,4-bis[[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]methylcarbamoyl]phenyl]xanthene-4,5-disulfonate;2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)-5-[[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]methylcarbamoyl]benzoic acid;5-[[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]methylcarbamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate;4-[3-[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]propanoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
CID 158794918
(2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3,5-trimethylindol-2-ylidene)prop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]hexanoate;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate
CID 163511360
tert-butyl 6-[2-[(1E,3E,5Z)-5-(1-ethyl-5-iodo-3,3-dimethylindol-2-ylidene)penta-1,3-dienyl]-5-iodo-3,3-dimethylindol-1-ium-1-yl]hexanoate
CID 58703900
methyl 4-methyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
CID 129129728
6-[2-[7-[1-(5-carboxypentyl)-3,3,5-trimethylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3,5-trimethylindol-1-yl]hexanoic acid
CID 175117514
tetrapotassium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[3-(1-ethyl-3,3,5-trimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate;3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[5-(3-ethyl-1,1,6-trimethyl-8-sulfonatobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-6,8-disulfonate
CID 158796988

Frequently Asked Questions

What is the IUPAC name of [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid?
The IUPAC name of [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid (CID 165031649) is [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid.
What is the SMILES notation for [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid?
The canonical SMILES for [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid is CC(C)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1.CCCc1cc2c(cc1C)C(c1ccc(C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.CCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCC(C)(C)C(C)C)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21.Cc1c2oc3c(C)c(N)ccc3c(-c3ccc(C(C)C)cc3C(=O)O)c-2ccc1=[NH2+].
What is the InChIKey of [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid?
The InChIKey is MTCNOIVCNGLCMA-SZNIEURFSA-R. The full InChI is InChI=1S/C42H59N3O.C35H36N2O3.C30H35NO3.C25H24N2O3/c1-12-44-35-24-22-31(4)27-33(35)41(8,9)37(44)19-15-13-16-20-38-42(10,11)34-28-32(5)23-25-36(34)45(38)26-18-14-17-21-39(46)43-29-40(6,7)30(2)3;1-20(2)21-11-12-24(27(17-21)35(38)39)30-28-18-22-7-3-13-36-15-5-9-25(31(22)36)33(28)40-34-26-10-6-16-37-14-4-8-23(32(26)37)19-29(30)34;1-7-9-21-15-27-24(12-18(21)5)29(22-11-10-20(17(3)4)14-23(22)30(32)33)25-13-19(6)26(31-8-2)16-28(25)34-27;1-12(2)15-5-6-16(19(11-15)25(28)29)22-17-7-9-20(26)13(3)23(17)30-24-14(4)21(27)10-8-18(22)24/h13,15-16,19-20,22-25,27-28,30H,12,14,17-18,21,26,29H2,1-11H3;11-12,17-20H,3-10,13-16H2,1-2H3;10-17,25,29H,7-9H2,1-6H3,(H,32,33);5-12,26H,27H2,1-4H3,(H,28,29)/p+4/b;;31-26+;.
What are the key properties of [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid?
[6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid has a molecular weight of 2016.76 g/mol, XLogP of 23.98, 25 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-9-(2-carboxy-4-propan-2-ylphenyl)-4,5-dimethylxanthen-3-ylidene]azanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3,5-trimethylindol-1-ium-1-yl]-N-(2,2,3-trimethylbutyl)hexanamide;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-propan-2-ylbenzoic acid is sourced from PubChem (CID 165031649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).