carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium

C176H212N4O39PV- — CID 159723463

IUPACcarbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium
SMILESC=CC(=O)OCCOCCOCCOCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCOCCOCCOCCOC(=O)C=C)C5=O.C=CC(=O)OCCOCCOCCOCCOc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OCCOCCOCCOCCOC(=O)C=C)cc2CCCCCCCCCCCCCCC)C6=O)c(CCCCCCCCCCCCCCC)c1.C=CC(=O)OCCOc1ccc(/C=C/c2cc(OCC(CC)CCCC)c(/C=C/c3ccc(OCCOC(=O)C=C)cc3)cc2CO)cc1.O=P.[CH3-].[V]
InChIInChI=1S/C88H114N2O16.C46H46N2O14.C41H48O8.CH3.HOP.V/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-65-63-67(103-59-55-99-51-47-97-49-53-101-57-61-105-79(91)7-3)35-45-77(65)89-85(93)73-41-37-69-71-39-43-75-84-76(44-40-72(82(71)84)70-38-42-74(86(89)94)83(73)81(69)70)88(96)90(87(75)95)78-46-36-68(104-60-56-100-52-48-98-50-54-102-58-62-106-80(92)8-4)64-66(78)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;1-3-37(49)61-27-25-59-23-21-57-19-17-55-15-13-47-43(51)33-9-5-29-31-7-11-35-42-36(12-8-32(40(31)42)30-6-10-34(44(47)52)41(33)39(29)30)46(54)48(45(35)53)14-16-56-18-20-58-22-24-60-26-28-62-38(50)4-2;1-5-9-10-31(6-2)30-49-39-28-34(17-11-32-13-19-37(20-14-32)45-23-25-47-40(43)7-3)36(29-42)27-35(39)18-12-33-15-21-38(22-16-33)46-24-26-48-41(44)8-4;;1-2;/h7-8,35-46,63-64H,3-6,9-34,47-62H2,1-2H3;3-12H,1-2,13-28H2;7-8,11-22,27-28,31,42H,3-6,9-10,23-26,29-30H2,1-2H3;1H3;2H;/q;;;-1;;/b;;17-11+,18-12+;;;
InChIKeyGBCYVSWKFLOHMT-YDNHDPPXSA-N
MW3089.54 g/mol
LogP32.66
Rot. Bonds106

About carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium

carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium (PubChem CID 159723463) has the molecular formula C176H212N4O39PV- and a molecular weight of 3089.54 g/mol. Its IUPAC name is carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium.

Molecular Properties

Compound Namecarbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium
PubChem CID159723463
Molecular FormulaC176H212N4O39PV-
Molecular Weight3089.54 g/mol
Exact Mass3087.39
IUPAC Namecarbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium
SMILESC=CC(=O)OCCOCCOCCOCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCOCCOCCOCCOC(=O)C=C)C5=O.C=CC(=O)OCCOCCOCCOCCOc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OCCOCCOCCOCCOC(=O)C=C)cc2CCCCCCCCCCCCCCC)C6=O)c(CCCCCCCCCCCCCCC)c1.C=CC(=O)OCCOc1ccc(/C=C/c2cc(OCC(CC)CCCC)c(/C=C/c3ccc(OCCOC(=O)C=C)cc3)cc2CO)cc1.O=P.[CH3-].[V]
InChIInChI=1S/C88H114N2O16.C46H46N2O14.C41H48O8.CH3.HOP.V/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-65-63-67(103-59-55-99-51-47-97-49-53-101-57-61-105-79(91)7-3)35-45-77(65)89-85(93)73-41-37-69-71-39-43-75-84-76(44-40-72(82(71)84)70-38-42-74(86(89)94)83(73)81(69)70)88(96)90(87(75)95)78-46-36-68(104-60-56-100-52-48-98-50-54-102-58-62-106-80(92)8-4)64-66(78)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;1-3-37(49)61-27-25-59-23-21-57-19-17-55-15-13-47-43(51)33-9-5-29-31-7-11-35-42-36(12-8-32(40(31)42)30-6-10-34(44(47)52)41(33)39(29)30)46(54)48(45(35)53)14-16-56-18-20-58-22-24-60-26-28-62-38(50)4-2;1-5-9-10-31(6-2)30-49-39-28-34(17-11-32-13-19-37(20-14-32)45-23-25-47-40(43)7-3)36(29-42)27-35(39)18-12-33-15-21-38(22-16-33)46-24-26-48-41(44)8-4;;1-2;/h7-8,35-46,63-64H,3-6,9-34,47-62H2,1-2H3;3-12H,1-2,13-28H2;7-8,11-22,27-28,31,42H,3-6,9-10,23-26,29-30H2,1-2H3;1H3;2H;/q;;;-1;;/b;;17-11+,18-12+;;;
InChIKeyGBCYVSWKFLOHMT-YDNHDPPXSA-N
XLogP32.66
TPSA501.53 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds106
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003089.54
LogP ≤ 532.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium?
The IUPAC name of carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium (CID 159723463) is carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium.
What is the SMILES notation for carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium?
The canonical SMILES for carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium is C=CC(=O)OCCOCCOCCOCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCOCCOCCOCCOC(=O)C=C)C5=O.C=CC(=O)OCCOCCOCCOCCOc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OCCOCCOCCOCCOC(=O)C=C)cc2CCCCCCCCCCCCCCC)C6=O)c(CCCCCCCCCCCCCCC)c1.C=CC(=O)OCCOc1ccc(/C=C/c2cc(OCC(CC)CCCC)c(/C=C/c3ccc(OCCOC(=O)C=C)cc3)cc2CO)cc1.O=P.[CH3-].[V].
What is the InChIKey of carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium?
The InChIKey is GBCYVSWKFLOHMT-YDNHDPPXSA-N. The full InChI is InChI=1S/C88H114N2O16.C46H46N2O14.C41H48O8.CH3.HOP.V/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-65-63-67(103-59-55-99-51-47-97-49-53-101-57-61-105-79(91)7-3)35-45-77(65)89-85(93)73-41-37-69-71-39-43-75-84-76(44-40-72(82(71)84)70-38-42-74(86(89)94)83(73)81(69)70)88(96)90(87(75)95)78-46-36-68(104-60-56-100-52-48-98-50-54-102-58-62-106-80(92)8-4)64-66(78)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;1-3-37(49)61-27-25-59-23-21-57-19-17-55-15-13-47-43(51)33-9-5-29-31-7-11-35-42-36(12-8-32(40(31)42)30-6-10-34(44(47)52)41(33)39(29)30)46(54)48(45(35)53)14-16-56-18-20-58-22-24-60-26-28-62-38(50)4-2;1-5-9-10-31(6-2)30-49-39-28-34(17-11-32-13-19-37(20-14-32)45-23-25-47-40(43)7-3)36(29-42)27-35(39)18-12-33-15-21-38(22-16-33)46-24-26-48-41(44)8-4;;1-2;/h7-8,35-46,63-64H,3-6,9-34,47-62H2,1-2H3;3-12H,1-2,13-28H2;7-8,11-22,27-28,31,42H,3-6,9-10,23-26,29-30H2,1-2H3;1H3;2H;/q;;;-1;;/b;;17-11+,18-12+;;;.
What are the key properties of carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium?
carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium has a molecular weight of 3089.54 g/mol, XLogP of 32.66, 106 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-(hydroxymethyl)-4-[(E)-2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate;oxophosphane;2-[2-[2-[2-[3-pentadecyl-4-[6,8,17,19-tetraoxo-18-[2-pentadecyl-4-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;vanadium is sourced from PubChem (CID 159723463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).