3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine

C30H21N13 — CID 59775652

IUPAC3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
SMILESc1cc2cc(NC3=NC4=NC(Nc5ccc6[nH]ccc6c5)=NC5=NC(Nc6ccc7[nH]ccc7c6)=NC(=N3)N45)ccc2[nH]1
InChIInChI=1S/C30H21N13/c1-4-22-16(7-10-31-22)13-19(1)34-25-37-28-39-26(35-20-2-5-23-17(14-20)8-11-32-23)41-30-42-27(40-29(38-25)43(28)30)36-21-3-6-24-18(15-21)9-12-33-24/h1-15,31-33H,(H3,34,35,36,37,38,39,40,41,42)
InChIKeyOORCCDVNZZEPCV-UHFFFAOYSA-N
MW563.59 g/mol
LogP5.25
Rot. Bonds3

About 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine

3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine (PubChem CID 59775652) has the molecular formula C30H21N13 and a molecular weight of 563.59 g/mol. Its IUPAC name is 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine.

Molecular Properties

Compound Name3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
PubChem CID59775652
Molecular FormulaC30H21N13
Molecular Weight563.59 g/mol
Exact Mass563.20
IUPAC Name3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
SMILESc1cc2cc(NC3=NC4=NC(Nc5ccc6[nH]ccc6c5)=NC5=NC(Nc6ccc7[nH]ccc7c6)=NC(=N3)N45)ccc2[nH]1
InChIInChI=1S/C30H21N13/c1-4-22-16(7-10-31-22)13-19(1)34-25-37-28-39-26(35-20-2-5-23-17(14-20)8-11-32-23)41-30-42-27(40-29(38-25)43(28)30)36-21-3-6-24-18(15-21)9-12-33-24/h1-15,31-33H,(H3,34,35,36,37,38,39,40,41,42)
InChIKeyOORCCDVNZZEPCV-UHFFFAOYSA-N
XLogP5.25
TPSA160.86 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500563.59
LogP ≤ 55.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine with MolForge

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Related Compounds

N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
CID 15982464
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543
N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine
CID 82536098
N-methylsulfanyl-1H-indol-5-amine
CID 143039504
N-(1H-indol-5-yl)phthalazin-1-amine
CID 59373118
N-(4-ethyl-2-pyridinyl)-1H-indol-5-amine
CID 155412453
5-(sulfamoylamino)-1H-indole
CID 112573166
N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane
CID 171106670
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine
CID 171106526
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
The IUPAC name of 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine (CID 59775652) is 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine.
What is the SMILES notation for 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
The canonical SMILES for 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine is c1cc2cc(NC3=NC4=NC(Nc5ccc6[nH]ccc6c5)=NC5=NC(Nc6ccc7[nH]ccc7c6)=NC(=N3)N45)ccc2[nH]1.
What is the InChIKey of 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
The InChIKey is OORCCDVNZZEPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N13/c1-4-22-16(7-10-31-22)13-19(1)34-25-37-28-39-26(35-20-2-5-23-17(14-20)8-11-32-23)41-30-42-27(40-29(38-25)43(28)30)36-21-3-6-24-18(15-21)9-12-33-24/h1-15,31-33H,(H3,34,35,36,37,38,39,40,41,42).
What are the key properties of 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine has a molecular weight of 563.59 g/mol, XLogP of 5.25, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine is sourced from PubChem (CID 59775652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).