2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline

C188H142N8O8 — CID 157104232

IUPAC2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
SMILESCc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3ccc4ccccc4n3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3ccccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3nccc4ccccc34)c2)c(C)c1
InChIInChI=1S/3C48H36N2O2.C44H34N2O2/c1-31-25-32(2)47(33(3)26-31)36-27-35(43-23-22-34-13-4-7-18-42(34)50-43)28-39(29-36)51-38-15-12-14-37(30-38)48(46-21-10-11-24-49-46)40-16-5-8-19-44(40)52-45-20-9-6-17-41(45)48;1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-31-23-32(2)47(33(3)24-31)37-25-36(43-28-34-13-4-5-14-35(34)30-50-43)26-40(27-37)51-39-16-12-15-38(29-39)48(46-21-10-11-22-49-46)41-17-6-8-19-44(41)52-45-20-9-7-18-42(45)48;1-29-23-30(2)43(31(3)24-29)33-25-32(39-17-8-10-21-45-39)26-36(27-33)47-35-14-12-13-34(28-35)44(42-20-9-11-22-46-42)37-15-4-6-18-40(37)48-41-19-7-5-16-38(41)44/h3*4-30H,1-3H3;4-28H,1-3H3
InChIKeyAGCSJDPSQNSPFH-UHFFFAOYSA-N
MW2641.25 g/mol
LogP47.53
Rot. Bonds24

About 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline

2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline (PubChem CID 157104232) has the molecular formula C188H142N8O8 and a molecular weight of 2641.25 g/mol. Its IUPAC name is 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
PubChem CID157104232
Molecular FormulaC188H142N8O8
Molecular Weight2641.25 g/mol
Exact Mass2639.10
IUPAC Name2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
SMILESCc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3ccc4ccccc4n3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3ccccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3nccc4ccccc34)c2)c(C)c1
InChIInChI=1S/3C48H36N2O2.C44H34N2O2/c1-31-25-32(2)47(33(3)26-31)36-27-35(43-23-22-34-13-4-7-18-42(34)50-43)28-39(29-36)51-38-15-12-14-37(30-38)48(46-21-10-11-24-49-46)40-16-5-8-19-44(40)52-45-20-9-6-17-41(45)48;1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-31-23-32(2)47(33(3)24-31)37-25-36(43-28-34-13-4-5-14-35(34)30-50-43)26-40(27-37)51-39-16-12-15-38(29-39)48(46-21-10-11-22-49-46)41-17-6-8-19-44(41)52-45-20-9-7-18-42(45)48;1-29-23-30(2)43(31(3)24-29)33-25-32(39-17-8-10-21-45-39)26-36(27-33)47-35-14-12-13-34(28-35)44(42-20-9-11-22-46-42)37-15-4-6-18-40(37)48-41-19-7-5-16-38(41)44/h3*4-30H,1-3H3;4-28H,1-3H3
InChIKeyAGCSJDPSQNSPFH-UHFFFAOYSA-N
XLogP47.53
TPSA176.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002641.25
LogP ≤ 547.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline with MolForge

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Related Compounds

2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-3-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-quinolin-2-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-[3-quinolin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]acridine
CID 158489250
2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
CID 158403134
9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158345600
9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158597634
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide
CID 158527531
1-[3-(3-tert-butyl-5-isoquinolin-3-ylphenoxy)phenyl]isoquinoline
CID 153428960
6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 169025629
2-[6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[9-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-4-(2,4,6-trimethylphenyl)benzo[h]quinolin-2-yl]phenol;2-[6-[3-(9-pyridin-2-ylxanthen-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[9-(9-pyridin-2-ylxanthen-9-yl)-4-(2,4,6-trimethylphenyl)benzo[h]quinolin-2-yl]phenol
CID 160559506
3-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline;2-[3-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-5-quinolin-2-ylphenyl]quinoline;3-[3-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 163983947
N,N-dimethyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine
CID 158983863

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline?
The IUPAC name of 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline (CID 157104232) is 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline.
What is the SMILES notation for 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline?
The canonical SMILES for 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline is Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3ccc4ccccc4n3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3ccccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)c3)cc(-c3nccc4ccccc34)c2)c(C)c1.
What is the InChIKey of 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline?
The InChIKey is AGCSJDPSQNSPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H36N2O2.C44H34N2O2/c1-31-25-32(2)47(33(3)26-31)36-27-35(43-23-22-34-13-4-7-18-42(34)50-43)28-39(29-36)51-38-15-12-14-37(30-38)48(46-21-10-11-24-49-46)40-16-5-8-19-44(40)52-45-20-9-6-17-41(45)48;1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-31-23-32(2)47(33(3)24-31)37-25-36(43-28-34-13-4-5-14-35(34)30-50-43)26-40(27-37)51-39-16-12-15-38(29-39)48(46-21-10-11-22-49-46)41-17-6-8-19-44(41)52-45-20-9-7-18-42(45)48;1-29-23-30(2)43(31(3)24-29)33-25-32(39-17-8-10-21-45-39)26-36(27-33)47-35-14-12-13-34(28-35)44(42-20-9-11-22-46-42)37-15-4-6-18-40(37)48-41-19-7-5-16-38(41)44/h3*4-30H,1-3H3;4-28H,1-3H3.
What are the key properties of 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline?
2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline has a molecular weight of 2641.25 g/mol, XLogP of 47.53, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline is sourced from PubChem (CID 157104232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).