N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate

C60H43N7O13 — CID 139204846

IUPACN,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate
SMILESCN(C)C=O.O=C(Oc1cc2c(cc1OC(=O)c1ccncc1)Cc1cc(OC(=O)c3ccncc3)c(OC(=O)c3ccncc3)cc1Cc1cc(OC(=O)c3ccncc3)c(OC(=O)c3ccncc3)cc1C2)c1ccncc1
InChIInChI=1S/C57H36N6O12.C3H7NO/c64-52(34-1-13-58-14-2-34)70-46-28-40-25-42-30-48(72-54(66)36-5-17-60-18-6-36)50(74-56(68)38-9-21-62-22-10-38)32-44(42)27-45-33-51(75-57(69)39-11-23-63-24-12-39)49(73-55(67)37-7-19-61-20-8-37)31-43(45)26-41(40)29-47(46)71-53(65)35-3-15-59-16-4-35;1-4(2)3-5/h1-24,28-33H,25-27H2;3H,1-2H3
InChIKeyLODVDKBNQPQQDJ-UHFFFAOYSA-N
MW1070.04 g/mol
LogP8.16
Rot. Bonds13

About N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate

N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate (PubChem CID 139204846) has the molecular formula C60H43N7O13 and a molecular weight of 1070.04 g/mol. Its IUPAC name is N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate.

Molecular Properties

Compound NameN,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate
PubChem CID139204846
Molecular FormulaC60H43N7O13
Molecular Weight1070.04 g/mol
Exact Mass1069.29
IUPAC NameN,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate
SMILESCN(C)C=O.O=C(Oc1cc2c(cc1OC(=O)c1ccncc1)Cc1cc(OC(=O)c3ccncc3)c(OC(=O)c3ccncc3)cc1Cc1cc(OC(=O)c3ccncc3)c(OC(=O)c3ccncc3)cc1C2)c1ccncc1
InChIInChI=1S/C57H36N6O12.C3H7NO/c64-52(34-1-13-58-14-2-34)70-46-28-40-25-42-30-48(72-54(66)36-5-17-60-18-6-36)50(74-56(68)38-9-21-62-22-10-38)32-44(42)27-45-33-51(75-57(69)39-11-23-63-24-12-39)49(73-55(67)37-7-19-61-20-8-37)31-43(45)26-41(40)29-47(46)71-53(65)35-3-15-59-16-4-35;1-4(2)3-5/h1-24,28-33H,25-27H2;3H,1-2H3
InChIKeyLODVDKBNQPQQDJ-UHFFFAOYSA-N
XLogP8.16
TPSA255.45 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.04
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methoxy-4-[(2R,3S)-4-[3-methoxy-4-(pyridine-3-carbonyloxy)phenyl]-2,3-dimethylbutyl]phenyl] pyridine-3-carboxylate
CID 137652341
Tris(4-pyridylmethyl)cyclotriguaiacylene
CID 15519182
[6,13,20-Trimethoxy-12,19-bis[(3-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 3-pyridin-3-ylbenzoate
CID 25227394
4,4',4''-(10,15-dihydro-3,8,13-trimethoxy-5H-tribenzo[a,d,g]cyclononene-2,7,12-triyl) 4-pyridinecarboxylate
CID 91667633
[3-(Pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate
CID 132563150
Tris(4-[4-methyl-2,2'-bipyridyl]methyl)cyclotriguaiacylene ether clathrate
CID 139113112
Tris(isonicotinoyl)cyclotriphenolene
CID 139131611
4-[[6,13,20-Trimethoxy-12,19-bis(pyridin-4-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine
CID 139131612
((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(3-pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g)cyclononane) diethylether N-methylpyrrolidone clathrate
CID 139157334
[4-[1-[2-[4-[4-[(3,5-Dimethylbenzoyl)oxymethyl]phenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]phenyl]methyl 3,5-dimethylbenzoate;4-[[15,30,31-tris(pyridin-4-ylmethoxymethyl)-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaen-14-yl]methoxymethyl]pyridine;ditetrafluoroborate
CID 139181656
(\+/-)-2,7,12-trimethoxy-3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene dimethylformamide clathrate
CID 168337807
[3-[1-[(3,4-Dimethylphenoxy)methyl]-3,4-dimethylpiperidin-4-yl]phenyl] pyridine-4-carboxylate
CID 20348577

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate?
The IUPAC name of N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate (CID 139204846) is N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate.
What is the SMILES notation for N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate?
The canonical SMILES for N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate is CN(C)C=O.O=C(Oc1cc2c(cc1OC(=O)c1ccncc1)Cc1cc(OC(=O)c3ccncc3)c(OC(=O)c3ccncc3)cc1Cc1cc(OC(=O)c3ccncc3)c(OC(=O)c3ccncc3)cc1C2)c1ccncc1.
What is the InChIKey of N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate?
The InChIKey is LODVDKBNQPQQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6O12.C3H7NO/c64-52(34-1-13-58-14-2-34)70-46-28-40-25-42-30-48(72-54(66)36-5-17-60-18-6-36)50(74-56(68)38-9-21-62-22-10-38)32-44(42)27-45-33-51(75-57(69)39-11-23-63-24-12-39)49(73-55(67)37-7-19-61-20-8-37)31-43(45)26-41(40)29-47(46)71-53(65)35-3-15-59-16-4-35;1-4(2)3-5/h1-24,28-33H,25-27H2;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate?
N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate has a molecular weight of 1070.04 g/mol, XLogP of 8.16, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;[6,12,13,19,20-pentakis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate is sourced from PubChem (CID 139204846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).