2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol

C120H86N11Ni5O6SSe-5 — CID 157286340

IUPAC2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol
SMILESCCCC1(CCC)c2ccc(-c3ccccn3)[c-]c2-c2nc(-c3ccccc3O)ccc21.CCCn1c2ccc(-c3ccccn3)[c-]c2c2nc(-c3ccccc3O)ccc21.Oc1ccccc1-c1ccc2[se]c3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1ccc2oc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1ccc2sc3ccc(-c4ccccn4)[c-]c3c2n1.[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C29H27N2O.C25H20N3O.C22H13N2O2.C22H13N2OS.C22H13N2OSe.5Ni/c1-3-16-29(17-4-2)23-13-12-20(25-10-7-8-18-30-25)19-22(23)28-24(29)14-15-26(31-28)21-9-5-6-11-27(21)32;1-2-15-28-22-12-10-17(20-8-5-6-14-26-20)16-19(22)25-23(28)13-11-21(27-25)18-7-3-4-9-24(18)29;3*25-19-7-2-1-5-15(19)18-9-11-21-22(24-18)16-13-14(8-10-20(16)26-21)17-6-3-4-12-23-17;;;;;/h5-15,18,32H,3-4,16-17H2,1-2H3;3-14,29H,2,15H2,1H3;3*1-12,25H;;;;;/q5*-1;;;;;
InChIKeyKSYIAQBKLPPEIO-UHFFFAOYSA-N
MW2182.57 g/mol
LogP28.58
Rot. Bonds16

About 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol

2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol (PubChem CID 157286340) has the molecular formula C120H86N11Ni5O6SSe-5 and a molecular weight of 2182.57 g/mol. Its IUPAC name is 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol.

Molecular Properties

Compound Name2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol
PubChem CID157286340
Molecular FormulaC120H86N11Ni5O6SSe-5
Molecular Weight2182.57 g/mol
Exact Mass2178.24
IUPAC Name2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol
SMILESCCCC1(CCC)c2ccc(-c3ccccn3)[c-]c2-c2nc(-c3ccccc3O)ccc21.CCCn1c2ccc(-c3ccccn3)[c-]c2c2nc(-c3ccccc3O)ccc21.Oc1ccccc1-c1ccc2[se]c3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1ccc2oc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1ccc2sc3ccc(-c4ccccn4)[c-]c3c2n1.[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C29H27N2O.C25H20N3O.C22H13N2O2.C22H13N2OS.C22H13N2OSe.5Ni/c1-3-16-29(17-4-2)23-13-12-20(25-10-7-8-18-30-25)19-22(23)28-24(29)14-15-26(31-28)21-9-5-6-11-27(21)32;1-2-15-28-22-12-10-17(20-8-5-6-14-26-20)16-19(22)25-23(28)13-11-21(27-25)18-7-3-4-9-24(18)29;3*25-19-7-2-1-5-15(19)18-9-11-21-22(24-18)16-13-14(8-10-20(16)26-21)17-6-3-4-12-23-17;;;;;/h5-15,18,32H,3-4,16-17H2,1-2H3;3-14,29H,2,15H2,1H3;3*1-12,25H;;;;;/q5*-1;;;;;
InChIKeyKSYIAQBKLPPEIO-UHFFFAOYSA-N
XLogP28.58
TPSA248.12 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.57
LogP ≤ 528.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol?
The IUPAC name of 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol (CID 157286340) is 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol.
What is the SMILES notation for 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol?
The canonical SMILES for 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol is CCCC1(CCC)c2ccc(-c3ccccn3)[c-]c2-c2nc(-c3ccccc3O)ccc21.CCCn1c2ccc(-c3ccccn3)[c-]c2c2nc(-c3ccccc3O)ccc21.Oc1ccccc1-c1ccc2[se]c3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1ccc2oc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1ccc2sc3ccc(-c4ccccn4)[c-]c3c2n1.[Ni].[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol?
The InChIKey is KSYIAQBKLPPEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N2O.C25H20N3O.C22H13N2O2.C22H13N2OS.C22H13N2OSe.5Ni/c1-3-16-29(17-4-2)23-13-12-20(25-10-7-8-18-30-25)19-22(23)28-24(29)14-15-26(31-28)21-9-5-6-11-27(21)32;1-2-15-28-22-12-10-17(20-8-5-6-14-26-20)16-19(22)25-23(28)13-11-21(27-25)18-7-3-4-9-24(18)29;3*25-19-7-2-1-5-15(19)18-9-11-21-22(24-18)16-13-14(8-10-20(16)26-21)17-6-3-4-12-23-17;;;;;/h5-15,18,32H,3-4,16-17H2,1-2H3;3-14,29H,2,15H2,1H3;3*1-12,25H;;;;;/q5*-1;;;;;.
What are the key properties of 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol?
2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol has a molecular weight of 2182.57 g/mol, XLogP of 28.58, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol is sourced from PubChem (CID 157286340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).