2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol

C100H64N8Ni4O4-4 — CID 157443385

IUPAC2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol
SMILESOc1cccc2ccc3ccc(-c4[c-]c(-c5ccccn5)ccc4)nc3c12.Oc1ccccc1-c1ccc2ccc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)n1.Oc1ccccc1-c1nc(-c2[c-]c(-c3ccccn3)ccc2)cc2ccccc12.[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/2C26H17N2O.2C24H15N2O.4Ni/c29-26-14-4-3-11-22(26)24-13-6-12-23(28-24)19-9-5-10-20(15-19)25-16-18-7-1-2-8-21(18)17-27-25;29-25-14-4-3-12-22(25)26-21-11-2-1-8-18(21)17-24(28-26)20-10-7-9-19(16-20)23-13-5-6-15-27-23;27-22-9-4-5-16-10-11-17-12-13-21(26-24(17)23(16)22)19-7-3-6-18(15-19)20-8-1-2-14-25-20;27-23-7-2-1-5-19(23)22-13-12-17-10-8-16-9-11-18(15-20(16)24(17)26-22)21-6-3-4-14-25-21;;;;/h1-14,16-17,29H;1-15,17,29H;2*1-14,27H;;;;/q4*-1;;;;
InChIKeyLHCDJQOCVCXWJP-UHFFFAOYSA-N
MW1676.44 g/mol
LogP23.51
Rot. Bonds10

About 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol

2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol (PubChem CID 157443385) has the molecular formula C100H64N8Ni4O4-4 and a molecular weight of 1676.44 g/mol. Its IUPAC name is 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol.

Molecular Properties

Compound Name2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol
PubChem CID157443385
Molecular FormulaC100H64N8Ni4O4-4
Molecular Weight1676.44 g/mol
Exact Mass1672.25
IUPAC Name2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol
SMILESOc1cccc2ccc3ccc(-c4[c-]c(-c5ccccn5)ccc4)nc3c12.Oc1ccccc1-c1ccc2ccc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)n1.Oc1ccccc1-c1nc(-c2[c-]c(-c3ccccn3)ccc2)cc2ccccc12.[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/2C26H17N2O.2C24H15N2O.4Ni/c29-26-14-4-3-11-22(26)24-13-6-12-23(28-24)19-9-5-10-20(15-19)25-16-18-7-1-2-8-21(18)17-27-25;29-25-14-4-3-12-22(25)26-21-11-2-1-8-18(21)17-24(28-26)20-10-7-9-19(16-20)23-13-5-6-15-27-23;27-22-9-4-5-16-10-11-17-12-13-21(26-24(17)23(16)22)19-7-3-6-18(15-19)20-8-1-2-14-25-20;27-23-7-2-1-5-19(23)22-13-12-17-10-8-16-9-11-18(15-20(16)24(17)26-22)21-6-3-4-14-25-21;;;;/h1-14,16-17,29H;1-15,17,29H;2*1-14,27H;;;;/q4*-1;;;;
InChIKeyLHCDJQOCVCXWJP-UHFFFAOYSA-N
XLogP23.51
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.44
LogP ≤ 523.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol 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

CID 157822037
CID 157822037
CID 157832357
CID 157832357
CID 158078780
CID 158078780
2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;carbazol-9-ide;chloronickel;nickel;nickel(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
CID 158108413
CID 158261028
CID 158261028
CID 158404317
CID 158404317
CID 158443916
CID 158443916
CID 159713775
CID 159713775
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-2-phenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159992764
CID 160397836
CID 160397836
5,7-Bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;bis(5,7-dinaphthalen-1-ylquinolin-8-ol);bis(dioxotungsten)
CID 161054806
2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
CID 161201932

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?
The IUPAC name of 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol (CID 157443385) is 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol.
What is the SMILES notation for 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?
The canonical SMILES for 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol is Oc1cccc2ccc3ccc(-c4[c-]c(-c5ccccn5)ccc4)nc3c12.Oc1ccccc1-c1ccc2ccc3ccc(-c4ccccn4)[c-]c3c2n1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)n1.Oc1ccccc1-c1nc(-c2[c-]c(-c3ccccn3)ccc2)cc2ccccc12.[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?
The InChIKey is LHCDJQOCVCXWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H17N2O.2C24H15N2O.4Ni/c29-26-14-4-3-11-22(26)24-13-6-12-23(28-24)19-9-5-10-20(15-19)25-16-18-7-1-2-8-21(18)17-27-25;29-25-14-4-3-12-22(25)26-21-11-2-1-8-18(21)17-24(28-26)20-10-7-9-19(16-20)23-13-5-6-15-27-23;27-22-9-4-5-16-10-11-17-12-13-21(26-24(17)23(16)22)19-7-3-6-18(15-19)20-8-1-2-14-25-20;27-23-7-2-1-5-19(23)22-13-12-17-10-8-16-9-11-18(15-20(16)24(17)26-22)21-6-3-4-14-25-21;;;;/h1-14,16-17,29H;1-15,17,29H;2*1-14,27H;;;;/q4*-1;;;;.
What are the key properties of 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol?
2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol has a molecular weight of 1676.44 g/mol, XLogP of 23.51, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel;2-(3-pyridin-2-ylbenzene-2-id-1-yl)benzo[h]quinolin-10-ol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)isoquinolin-1-yl]phenol;2-(9-pyridin-2-yl-10H-benzo[h]quinolin-10-id-2-yl)phenol is sourced from PubChem (CID 157443385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).