azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid

C118H155N11O16Pt4 — CID 157321056

IUPACazane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(C)(C)CC(=O)O.CCCCCCCC(=O)O.CCCCCCNC(=O)O.N.N.N.N.O=C(O)CC1CCCCC1.O=C(O)CCCc1ccccc1.O=C(O)NC1CCCCC1.O=C(O)NCCc1ccccc1.O=C(O)c1ccccc1.[Pt].[Pt].[Pt].[Pt].c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/4C13H9N.C10H12O2.C10H20O2.C9H11NO2.C8H14O2.C8H16O2.C7H13NO2.C7H15NO2.C7H6O2.4H3N.4Pt/c4*1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;11-10(12)8-4-7-9-5-2-1-3-6-9;1-9(2,3)7-10(4,5)6-8(11)12;11-9(12)10-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7;1-2-3-4-5-6-7-8(9)10;9-7(10)8-6-4-2-1-3-5-6;1-2-3-4-5-6-8-7(9)10;8-7(9)6-4-2-1-3-5-6;;;;;;;;/h4*1-9H;1-3,5-6H,4,7-8H2,(H,11,12);6-7H2,1-5H3,(H,11,12);1-5,10H,6-7H2,(H,11,12);7H,1-6H2,(H,9,10);2-7H2,1H3,(H,9,10);6,8H,1-5H2,(H,9,10);8H,2-6H2,1H3,(H,9,10);1-5H,(H,8,9);4*1H3;;;;
InChIKeyJLALOEXGDDQRDF-UHFFFAOYSA-N
MW2763.91 g/mol
LogP29.98
Rot. Bonds25

About azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid

azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid (PubChem CID 157321056) has the molecular formula C118H155N11O16Pt4 and a molecular weight of 2763.91 g/mol. Its IUPAC name is azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid.

Molecular Properties

Compound Nameazane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid
PubChem CID157321056
Molecular FormulaC118H155N11O16Pt4
Molecular Weight2763.91 g/mol
Exact Mass2762.02
IUPAC Nameazane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(C)(C)CC(=O)O.CCCCCCCC(=O)O.CCCCCCNC(=O)O.N.N.N.N.O=C(O)CC1CCCCC1.O=C(O)CCCc1ccccc1.O=C(O)NC1CCCCC1.O=C(O)NCCc1ccccc1.O=C(O)c1ccccc1.[Pt].[Pt].[Pt].[Pt].c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/4C13H9N.C10H12O2.C10H20O2.C9H11NO2.C8H14O2.C8H16O2.C7H13NO2.C7H15NO2.C7H6O2.4H3N.4Pt/c4*1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;11-10(12)8-4-7-9-5-2-1-3-6-9;1-9(2,3)7-10(4,5)6-8(11)12;11-9(12)10-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7;1-2-3-4-5-6-7-8(9)10;9-7(10)8-6-4-2-1-3-5-6;1-2-3-4-5-6-8-7(9)10;8-7(9)6-4-2-1-3-5-6;;;;;;;;/h4*1-9H;1-3,5-6H,4,7-8H2,(H,11,12);6-7H2,1-5H3,(H,11,12);1-5,10H,6-7H2,(H,11,12);7H,1-6H2,(H,9,10);2-7H2,1H3,(H,9,10);6,8H,1-5H2,(H,9,10);8H,2-6H2,1H3,(H,9,10);1-5H,(H,8,9);4*1H3;;;;
InChIKeyJLALOEXGDDQRDF-UHFFFAOYSA-N
XLogP29.98
TPSA526.05 Ų
H-Bond Donors15
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002763.91
LogP ≤ 529.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid with MolForge

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Related Compounds

4-[[2-[4-(Aminomethyl)cyclohexanecarbonyl]-3,3-dimethyl-5-quinolin-6-yl-1,4-dihydroisoquinoline-1-carbonyl]amino]benzoic acid
CID 129012574
2-(5,5-Dimethylcyclohex-2-en-1-yl)oxycarbonylbenzoic acid;2-(3,3-dimethylcyclohexyl)oxycarbonylbenzoic acid;bis((5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol)
CID 418939
4-{(2R,4S)-1-(3,5-Dimethyl-benzoyl)-4-[(quinolin-4-ylmethyl)-amino]-piperidin-2-ylmethyl}-benzoic acid
CID 44333527
methyl N-[(4S)-4-(3-fluoro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[(3R)-1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamate
CID 59404616
[(4S)-4-(3-fluoro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[(3R)-1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamic acid
CID 68515424
[4-(3-Fluoro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamic acid
CID 68516037
[4-(3-fluoro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[(3R)-1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamic acid
CID 68517587
methyl N-[4-(3-fluoro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[(3R)-1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamate
CID 70292177
methyl N-[4-(3-fluoro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[1-[4-(methylaminomethyl)benzoyl]piperidin-3-yl]butyl]carbamate
CID 72275037
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 121332552
3-[[6-Fluoro-1-[3-[4-[(6-fluoroquinolin-4-yl)amino]-2-[[5-(pyridin-4-ylamino)-3-pyridinyl]carbamoyl]phenyl]-2-methylpropyl]quinolin-1-ium-4-yl]amino]benzoic acid
CID 157042791
tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;N-[(4-ethylphenyl)methyl]-2-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;2-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid
CID 157988525

Frequently Asked Questions

What is the IUPAC name of azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid?
The IUPAC name of azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid (CID 157321056) is azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid.
What is the SMILES notation for azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid?
The canonical SMILES for azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid is CC(C)(C)CC(C)(C)CC(=O)O.CCCCCCCC(=O)O.CCCCCCNC(=O)O.N.N.N.N.O=C(O)CC1CCCCC1.O=C(O)CCCc1ccccc1.O=C(O)NC1CCCCC1.O=C(O)NCCc1ccccc1.O=C(O)c1ccccc1.[Pt].[Pt].[Pt].[Pt].c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)cnc1ccccc12.
What is the InChIKey of azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid?
The InChIKey is JLALOEXGDDQRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9N.C10H12O2.C10H20O2.C9H11NO2.C8H14O2.C8H16O2.C7H13NO2.C7H15NO2.C7H6O2.4H3N.4Pt/c4*1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;11-10(12)8-4-7-9-5-2-1-3-6-9;1-9(2,3)7-10(4,5)6-8(11)12;11-9(12)10-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7;1-2-3-4-5-6-7-8(9)10;9-7(10)8-6-4-2-1-3-5-6;1-2-3-4-5-6-8-7(9)10;8-7(9)6-4-2-1-3-5-6;;;;;;;;/h4*1-9H;1-3,5-6H,4,7-8H2,(H,11,12);6-7H2,1-5H3,(H,11,12);1-5,10H,6-7H2,(H,11,12);7H,1-6H2,(H,9,10);2-7H2,1H3,(H,9,10);6,8H,1-5H2,(H,9,10);8H,2-6H2,1H3,(H,9,10);1-5H,(H,8,9);4*1H3;;;;.
What are the key properties of azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid?
azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid has a molecular weight of 2763.91 g/mol, XLogP of 29.98, 25 rotatable bonds, 15 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzoic acid;2-cyclohexylacetic acid;cyclohexylcarbamic acid;hexylcarbamic acid;octanoic acid;tetrakis(phenanthridine);4-phenylbutanoic acid;2-phenylethylcarbamic acid;platinum;3,3,5,5-tetramethylhexanoic acid is sourced from PubChem (CID 157321056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).