dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

C89H77Cl2N5O12Pt — CID 158601255

IUPACdichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
SMILESCCC(CC)C1C(=O)c2ccc3c4c(C#Cc5ccc(-c6ccc(C#Cc7cc8c9c(ccc%10c%11c(OCCOC)cc%12c%13c(ccc(c7c9%10)c%13%11)C(=O)N(C(CC)CC)C%12=O)C(=O)N(C(CC)CC)C8=O)cn6)nc5)cc5c6c(ccc(c7c(OCCOC)cc(c2c37)C1=O)c64)C(=O)N(C(CC)CC)C5=O.Cl[Pt]Cl
InChIInChI=1S/C89H77N5O12.2ClH.Pt/c1-11-47(12-2)71-82(95)57-29-25-53-69-48(39-62-73-58(84(97)92(87(62)100)50(13-3)14-4)31-27-55(78(69)73)76-67(105-37-35-103-9)41-61(83(71)96)72(57)80(53)76)23-19-45-21-33-65(90-43-45)66-34-22-46(44-91-66)20-24-49-40-63-74-59(85(98)93(88(63)101)51(15-5)16-6)32-28-56-77-68(106-38-36-104-10)42-64-75-60(30-26-54(81(75)77)70(49)79(56)74)86(99)94(89(64)102)52(17-7)18-8;;;/h21-22,25-34,39-44,47,50-52,71H,11-18,35-38H2,1-10H3;2*1H;/q;;;+2/p-2
InChIKeyHVQYREPZECTVQN-UHFFFAOYSA-L
MW1674.60 g/mol
LogP18.26
Rot. Bonds21

About dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (PubChem CID 158601255) has the molecular formula C89H77Cl2N5O12Pt and a molecular weight of 1674.60 g/mol. Its IUPAC name is dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Namedichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
PubChem CID158601255
Molecular FormulaC89H77Cl2N5O12Pt
Molecular Weight1674.60 g/mol
Exact Mass1672.46
IUPAC Namedichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
SMILESCCC(CC)C1C(=O)c2ccc3c4c(C#Cc5ccc(-c6ccc(C#Cc7cc8c9c(ccc%10c%11c(OCCOC)cc%12c%13c(ccc(c7c9%10)c%13%11)C(=O)N(C(CC)CC)C%12=O)C(=O)N(C(CC)CC)C8=O)cn6)nc5)cc5c6c(ccc(c7c(OCCOC)cc(c2c37)C1=O)c64)C(=O)N(C(CC)CC)C5=O.Cl[Pt]Cl
InChIInChI=1S/C89H77N5O12.2ClH.Pt/c1-11-47(12-2)71-82(95)57-29-25-53-69-48(39-62-73-58(84(97)92(87(62)100)50(13-3)14-4)31-27-55(78(69)73)76-67(105-37-35-103-9)41-61(83(71)96)72(57)80(53)76)23-19-45-21-33-65(90-43-45)66-34-22-46(44-91-66)20-24-49-40-63-74-59(85(98)93(88(63)101)51(15-5)16-6)32-28-56-77-68(106-38-36-104-10)42-64-75-60(30-26-54(81(75)77)70(49)79(56)74)86(99)94(89(64)102)52(17-7)18-8;;;/h21-22,25-34,39-44,47,50-52,71H,11-18,35-38H2,1-10H3;2*1H;/q;;;+2/p-2
InChIKeyHVQYREPZECTVQN-UHFFFAOYSA-L
XLogP18.26
TPSA208.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.60
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
The IUPAC name of dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (CID 158601255) is dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is CCC(CC)C1C(=O)c2ccc3c4c(C#Cc5ccc(-c6ccc(C#Cc7cc8c9c(ccc%10c%11c(OCCOC)cc%12c%13c(ccc(c7c9%10)c%13%11)C(=O)N(C(CC)CC)C%12=O)C(=O)N(C(CC)CC)C8=O)cn6)nc5)cc5c6c(ccc(c7c(OCCOC)cc(c2c37)C1=O)c64)C(=O)N(C(CC)CC)C5=O.Cl[Pt]Cl.
What is the InChIKey of dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
The InChIKey is HVQYREPZECTVQN-UHFFFAOYSA-L. The full InChI is InChI=1S/C89H77N5O12.2ClH.Pt/c1-11-47(12-2)71-82(95)57-29-25-53-69-48(39-62-73-58(84(97)92(87(62)100)50(13-3)14-4)31-27-55(78(69)73)76-67(105-37-35-103-9)41-61(83(71)96)72(57)80(53)76)23-19-45-21-33-65(90-43-45)66-34-22-46(44-91-66)20-24-49-40-63-74-59(85(98)93(88(63)101)51(15-5)16-6)32-28-56-77-68(106-38-36-104-10)42-64-75-60(30-26-54(81(75)77)70(49)79(56)74)86(99)94(89(64)102)52(17-7)18-8;;;/h21-22,25-34,39-44,47,50-52,71H,11-18,35-38H2,1-10H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone has a molecular weight of 1674.60 g/mol, XLogP of 18.26, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;11-(2-methoxyethoxy)-22-[2-[6-[5-[2-[22-(2-methoxyethoxy)-6,8,17,19-tetraoxo-7,18-di(pentan-3-yl)-7-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]ethynyl]-2-pyridinyl]-3-pyridinyl]ethynyl]-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 158601255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).