2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))

C219H308BrF3Fe7N9O3+5 — CID 162274160

IUPAC2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))
SMILESC(=C(C=C1Cc2ccc3ccccc3c2N1C1CCCC1)c1ccccc1)c1oc2ccccc2[n+]1CCc1ccccc1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC(=C\C1=[N+](CC(=O)CC2CCCC2)c2ccc(C)cc2C1(C)C)/C=C1/N(CCCC2CCCC2)c2ccc(C(F)(F)F)cc2C1(C)C.CC1(C)C(=CC(=CC2=[N+](CC3CCCC3)c3ccc4ccccc4c3C2(C)C)c2ccc(Br)cc2)N(CC2CCCC2)c2ccc(O)cc21.CC[N+]1(CC)C(C=CC=C2N(CCC3CCCC3)c3ccccc3C2(C)C)=[N+](CCC2CCCC2)c2ccc3ccccc3c21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/C45H49BrN2O.C42H54F3N2O.C42H55N3.C41H37N2O.7C5H10.14CH3.7Fe/c1-44(2)38-27-36(49)22-24-39(38)47(28-30-11-5-6-12-30)41(44)25-34(32-17-20-35(46)21-18-32)26-42-45(3,4)43-37-16-10-9-15-33(37)19-23-40(43)48(42)29-31-13-7-8-14-31;1-28-17-19-37-34(22-28)40(3,4)39(47(37)27-33(48)25-31-14-9-10-15-31)24-29(2)23-38-41(5,6)35-26-32(42(43,44)45)18-20-36(35)46(38)21-11-16-30-12-7-8-13-30;1-5-45(6-2)40(44(31-29-33-18-9-10-19-33)38-27-26-34-20-11-12-21-35(34)41(38)45)25-15-24-39-42(3,4)36-22-13-14-23-37(36)43(39)30-28-32-16-7-8-17-32;1-3-13-30(14-4-1)25-26-42-38-21-11-12-22-39(38)44-40(42)29-34(31-15-5-2-6-16-31)28-36-27-33-24-23-32-17-7-10-20-37(32)41(33)43(36)35-18-8-9-19-35;7*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;/h9-10,15-27,30-31H,5-8,11-14,28-29H2,1-4H3;17-20,22-24,26,30-31H,7-16,21,25,27H2,1-6H3;11-15,20-27,32-33H,5-10,16-19,28-31H2,1-4H3;1-7,10-17,20-24,28-29,35H,8-9,18-19,25-27H2;7*1-5H2;14*1H3;;;;;;;/q;+1;+2;+1;;;;;;;;14*-1;7*+2/p+1
InChIKeyIDOKYDIKDOYVHK-UHFFFAOYSA-O
MW3642.75 g/mol
LogP63.10
Rot. Bonds34

About 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))

2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)) (PubChem CID 162274160) has the molecular formula C219H308BrF3Fe7N9O3+5 and a molecular weight of 3642.75 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)).

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))
PubChem CID162274160
Molecular FormulaC219H308BrF3Fe7N9O3+5
Molecular Weight3642.75 g/mol
Exact Mass3639.88
IUPAC Name2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))
SMILESC(=C(C=C1Cc2ccc3ccccc3c2N1C1CCCC1)c1ccccc1)c1oc2ccccc2[n+]1CCc1ccccc1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC(=C\C1=[N+](CC(=O)CC2CCCC2)c2ccc(C)cc2C1(C)C)/C=C1/N(CCCC2CCCC2)c2ccc(C(F)(F)F)cc2C1(C)C.CC1(C)C(=CC(=CC2=[N+](CC3CCCC3)c3ccc4ccccc4c3C2(C)C)c2ccc(Br)cc2)N(CC2CCCC2)c2ccc(O)cc21.CC[N+]1(CC)C(C=CC=C2N(CCC3CCCC3)c3ccccc3C2(C)C)=[N+](CCC2CCCC2)c2ccc3ccccc3c21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/C45H49BrN2O.C42H54F3N2O.C42H55N3.C41H37N2O.7C5H10.14CH3.7Fe/c1-44(2)38-27-36(49)22-24-39(38)47(28-30-11-5-6-12-30)41(44)25-34(32-17-20-35(46)21-18-32)26-42-45(3,4)43-37-16-10-9-15-33(37)19-23-40(43)48(42)29-31-13-7-8-14-31;1-28-17-19-37-34(22-28)40(3,4)39(47(37)27-33(48)25-31-14-9-10-15-31)24-29(2)23-38-41(5,6)35-26-32(42(43,44)45)18-20-36(35)46(38)21-11-16-30-12-7-8-13-30;1-5-45(6-2)40(44(31-29-33-18-9-10-19-33)38-27-26-34-20-11-12-21-35(34)41(38)45)25-15-24-39-42(3,4)36-22-13-14-23-37(36)43(39)30-28-32-16-7-8-17-32;1-3-13-30(14-4-1)25-26-42-38-21-11-12-22-39(38)44-40(42)29-34(31-15-5-2-6-16-31)28-36-27-33-24-23-32-17-7-10-20-37(32)41(33)43(36)35-18-8-9-19-35;7*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;/h9-10,15-27,30-31H,5-8,11-14,28-29H2,1-4H3;17-20,22-24,26,30-31H,7-16,21,25,27H2,1-6H3;11-15,20-27,32-33H,5-10,16-19,28-31H2,1-4H3;1-7,10-17,20-24,28-29,35H,8-9,18-19,25-27H2;7*1-5H2;14*1H3;;;;;;;/q;+1;+2;+1;;;;;;;;14*-1;7*+2/p+1
InChIKeyIDOKYDIKDOYVHK-UHFFFAOYSA-O
XLogP63.10
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms242
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003642.75
LogP ≤ 563.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)) with MolForge

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Launch Full Analysis

Related Compounds

5-[(Z,3E)-2-(4-bromophenyl)-3-[3-(cyclopenta-2,4-dien-1-ylmethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]prop-1-enyl]-1-(cyclopenta-2,4-dien-1-ylmethyl)-4,4-dimethylpyrrol-1-ium-3-ol;carbanide;tris(cyclopenta-1,3-diene);2-[3-(1-cyclopenta-2,4-dien-1-yl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;3-[(E,3Z)-3-(1,2-dimethylindol-1-ium-3-ylidene)prop-1-enyl]-1,2-dimethylindole;tris(iron(2+));(3Z)-2-methyl-1-(3-methylbutyl)-3-[(E)-3-(2-methyl-1H-indol-3-yl)prop-2-enylidene]-5-(trifluoromethyl)indol-1-ium
CID 157383743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))?
The IUPAC name of 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)) (CID 162274160) is 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)).
What is the SMILES notation for 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))?
The canonical SMILES for 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)) is C(=C(C=C1Cc2ccc3ccccc3c2N1C1CCCC1)c1ccccc1)c1oc2ccccc2[n+]1CCc1ccccc1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC(=C\C1=[N+](CC(=O)CC2CCCC2)c2ccc(C)cc2C1(C)C)/C=C1/N(CCCC2CCCC2)c2ccc(C(F)(F)F)cc2C1(C)C.CC1(C)C(=CC(=CC2=[N+](CC3CCCC3)c3ccc4ccccc4c3C2(C)C)c2ccc(Br)cc2)N(CC2CCCC2)c2ccc(O)cc21.CC[N+]1(CC)C(C=CC=C2N(CCC3CCCC3)c3ccccc3C2(C)C)=[N+](CCC2CCCC2)c2ccc3ccccc3c21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].
What is the InChIKey of 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))?
The InChIKey is IDOKYDIKDOYVHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C45H49BrN2O.C42H54F3N2O.C42H55N3.C41H37N2O.7C5H10.14CH3.7Fe/c1-44(2)38-27-36(49)22-24-39(38)47(28-30-11-5-6-12-30)41(44)25-34(32-17-20-35(46)21-18-32)26-42-45(3,4)43-37-16-10-9-15-33(37)19-23-40(43)48(42)29-31-13-7-8-14-31;1-28-17-19-37-34(22-28)40(3,4)39(47(37)27-33(48)25-31-14-9-10-15-31)24-29(2)23-38-41(5,6)35-26-32(42(43,44)45)18-20-36(35)46(38)21-11-16-30-12-7-8-13-30;1-5-45(6-2)40(44(31-29-33-18-9-10-19-33)38-27-26-34-20-11-12-21-35(34)41(38)45)25-15-24-39-42(3,4)36-22-13-14-23-37(36)43(39)30-28-32-16-7-8-17-32;1-3-13-30(14-4-1)25-26-42-38-21-11-12-22-39(38)44-40(42)29-34(31-15-5-2-6-16-31)28-36-27-33-24-23-32-17-7-10-20-37(32)41(33)43(36)35-18-8-9-19-35;7*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;/h9-10,15-27,30-31H,5-8,11-14,28-29H2,1-4H3;17-20,22-24,26,30-31H,7-16,21,25,27H2,1-6H3;11-15,20-27,32-33H,5-10,16-19,28-31H2,1-4H3;1-7,10-17,20-24,28-29,35H,8-9,18-19,25-27H2;7*1-5H2;14*1H3;;;;;;;/q;+1;+2;+1;;;;;;;;14*-1;7*+2/p+1.
What are the key properties of 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+))?
2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)) has a molecular weight of 3642.75 g/mol, XLogP of 63.10, 34 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-3-[3-(cyclopentylmethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1-(cyclopentylmethyl)-3,3-dimethylindol-5-ol;carbanide;heptakis(cyclopentane);2-[3-(1-cyclopentyl-3H-benzo[g]indol-2-ylidene)-2-phenylprop-1-enyl]-3-(2-phenylethyl)-1,3-benzoxazol-3-ium;1-cyclopentyl-3-[2-[(E,3E)-3-[1-(3-cyclopentylpropyl)-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]-2-methylprop-1-enyl]-3,3,5-trimethylindol-1-ium-1-yl]propan-2-one;3-(2-cyclopentylethyl)-2-[3-[1-(2-cyclopentylethyl)-3,3-dimethylindol-2-ylidene]prop-1-enyl]-1,1-diethylbenzo[e]benzimidazole-1,3-diium;heptakis(iron(2+)) is sourced from PubChem (CID 162274160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).