1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine

C34H22N4S2 — CID 59309161

IUPAC1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine
SMILESc1ccc(N(c2cccs2)c2ccc3ccc4c(N(c5ccccn5)c5cccs5)ccc5ccc2c3c54)nc1
InChIInChI=1S/C34H22N4S2/c1-3-19-35-29(7-1)37(31-9-5-21-39-31)27-17-13-23-12-16-26-28(18-14-24-11-15-25(27)33(23)34(24)26)38(32-10-6-22-40-32)30-8-2-4-20-36-30/h1-22H
InChIKeyARGIYLUEPLQEAK-UHFFFAOYSA-N
MW550.71 g/mol
LogP10.44
Rot. Bonds6

About 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine

1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine (PubChem CID 59309161) has the molecular formula C34H22N4S2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine
PubChem CID59309161
Molecular FormulaC34H22N4S2
Molecular Weight550.71 g/mol
Exact Mass550.13
IUPAC Name1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine
SMILESc1ccc(N(c2cccs2)c2ccc3ccc4c(N(c5ccccn5)c5cccs5)ccc5ccc2c3c54)nc1
InChIInChI=1S/C34H22N4S2/c1-3-19-35-29(7-1)37(31-9-5-21-39-31)27-17-13-23-12-16-26-28(18-14-24-11-15-25(27)33(23)34(24)26)38(32-10-6-22-40-32)30-8-2-4-20-36-30/h1-22H
InChIKeyARGIYLUEPLQEAK-UHFFFAOYSA-N
XLogP10.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine with MolForge

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Related Compounds

1-N,8-N-diphenyl-1-N,8-N-dithiophen-2-ylpyrene-1,8-diamine
CID 59309031
6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
CID 90756676
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-3-ylpyrene-1,6-diamine
CID 158424181
1-N,6-N-di(dibenzothiophen-4-yl)-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 118952332
9,9-dimethyl-2-N,7-N-di(pyren-1-yl)-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine
CID 58883934
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
2-N,2-N,7-N,7-N-tetrapyridin-2-ylnaphthalene-2,7-diamine
CID 102277389
9,10-dimethyl-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine
CID 58855180
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579
1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine
CID 163761459
2-[3,3-dimethyl-1-[6-(N-pyridin-2-ylanilino)pyren-1-yl]-2H-indol-2-yl]benzonitrile
CID 90054765
2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylpyridine-3-carbonitrile
CID 166036399

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine (CID 59309161) is 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine is c1ccc(N(c2cccs2)c2ccc3ccc4c(N(c5ccccn5)c5cccs5)ccc5ccc2c3c54)nc1.
What is the InChIKey of 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine?
The InChIKey is ARGIYLUEPLQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4S2/c1-3-19-35-29(7-1)37(31-9-5-21-39-31)27-17-13-23-12-16-26-28(18-14-24-11-15-25(27)33(23)34(24)26)38(32-10-6-22-40-32)30-8-2-4-20-36-30/h1-22H.
What are the key properties of 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine?
1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine has a molecular weight of 550.71 g/mol, XLogP of 10.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine is sourced from PubChem (CID 59309161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).