1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid

C35H27N7O8 — CID 10191004

IUPAC1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid
SMILESO=C(O)c1cc2nc(c1)-c1cc(C(=O)O)cc(n1)CN1Cc3cccc(n3)CN(C2)Cc2cc(C(=O)O)cc(n2)-c2cc(C(=O)O)cc(n2)C1
InChIInChI=1S/C35H27N7O8/c43-32(44)18-4-24-14-41-12-22-2-1-3-23(36-22)13-42(16-26-6-20(34(47)48)10-30(39-26)28(8-18)37-24)17-27-7-21(35(49)50)11-31(40-27)29-9-19(33(45)46)5-25(15-41)38-29/h1-11H,12-17H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
InChIKeyFAUGBHJLJLFRPA-UHFFFAOYSA-N
MW673.64 g/mol
LogP3.82
Rot. Bonds4

About 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid

1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid (PubChem CID 10191004) has the molecular formula C35H27N7O8 and a molecular weight of 673.64 g/mol. Its IUPAC name is 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid.

Molecular Properties

Compound Name1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid
PubChem CID10191004
Molecular FormulaC35H27N7O8
Molecular Weight673.64 g/mol
Exact Mass673.19
IUPAC Name1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid
SMILESO=C(O)c1cc2nc(c1)-c1cc(C(=O)O)cc(n1)CN1Cc3cccc(n3)CN(C2)Cc2cc(C(=O)O)cc(n2)-c2cc(C(=O)O)cc(n2)C1
InChIInChI=1S/C35H27N7O8/c43-32(44)18-4-24-14-41-12-22-2-1-3-23(36-22)13-42(16-26-6-20(34(47)48)10-30(39-26)28(8-18)37-24)17-27-7-21(35(49)50)11-31(40-27)29-9-19(33(45)46)5-25(15-41)38-29/h1-11H,12-17H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
InChIKeyFAUGBHJLJLFRPA-UHFFFAOYSA-N
XLogP3.82
TPSA220.13 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.64
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid 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

Bicinchoninic acid
CID 71068
2-(2-Quinolyl)cinchoninic acid
CID 919750
2,2'-Bipyridine-4,4'-dicarboxylic acid
CID 688094
2,2':6',2''-Terpyridine-4'-carboxylic Acid
CID 2762749
Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
3-[6-(1-Methylpiperidin-4-yl)-2-pyridinyl]benzoic acid
CID 110112169
2-Pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid
CID 162665504
2-[6-(6-Fluoro-3-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 168275402
2-(6-Pyridin-3-yl-2-pyridinyl)pyridine-4-carboxylic acid
CID 168282305
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
3,5-Bis((bis(2-pyridylmethyl)amino)methyl)benzoic acid
CID 66690508
[2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid
CID 11233869

Frequently Asked Questions

What is the IUPAC name of 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
The IUPAC name of 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid (CID 10191004) is 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid.
What is the SMILES notation for 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
The canonical SMILES for 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid is O=C(O)c1cc2nc(c1)-c1cc(C(=O)O)cc(n1)CN1Cc3cccc(n3)CN(C2)Cc2cc(C(=O)O)cc(n2)-c2cc(C(=O)O)cc(n2)C1.
What is the InChIKey of 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
The InChIKey is FAUGBHJLJLFRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N7O8/c43-32(44)18-4-24-14-41-12-22-2-1-3-23(36-22)13-42(16-26-6-20(34(47)48)10-30(39-26)28(8-18)37-24)17-27-7-21(35(49)50)11-31(40-27)29-9-19(33(45)46)5-25(15-41)38-29/h1-11H,12-17H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50).
What are the key properties of 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid has a molecular weight of 673.64 g/mol, XLogP of 3.82, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid is sourced from PubChem (CID 10191004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).