2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole

C54H36N8O2 — CID 154592465

IUPAC2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
SMILESc1ccc(-n2ccnc2-c2cccc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cccc(-c7nccn7-c7ccccc7)c6)cc5n(-c5ccccn5)c43)c2)cc1
InChIInChI=1S/C54H36N8O2/c1-3-15-39(16-4-1)59-31-29-57-53(59)37-13-11-19-41(33-37)63-43-23-25-45-47(35-43)61(49-21-7-9-27-55-49)52-46-26-24-44(36-48(46)62(51(45)52)50-22-8-10-28-56-50)64-42-20-12-14-38(34-42)54-58-30-32-60(54)40-17-5-2-6-18-40/h1-36H
InChIKeyUBLVMRHPSREZQL-UHFFFAOYSA-N
MW828.94 g/mol
LogP12.81
Rot. Bonds10

About 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole

2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole (PubChem CID 154592465) has the molecular formula C54H36N8O2 and a molecular weight of 828.94 g/mol. Its IUPAC name is 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole.

Molecular Properties

Compound Name2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
PubChem CID154592465
Molecular FormulaC54H36N8O2
Molecular Weight828.94 g/mol
Exact Mass828.30
IUPAC Name2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
SMILESc1ccc(-n2ccnc2-c2cccc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cccc(-c7nccn7-c7ccccc7)c6)cc5n(-c5ccccn5)c43)c2)cc1
InChIInChI=1S/C54H36N8O2/c1-3-15-39(16-4-1)59-31-29-57-53(59)37-13-11-19-41(33-37)63-43-23-25-45-47(35-43)61(49-21-7-9-27-55-49)52-46-26-24-44(36-48(46)62(51(45)52)50-22-8-10-28-56-50)64-42-20-12-14-38(34-42)54-58-30-32-60(54)40-17-5-2-6-18-40/h1-36H
InChIKeyUBLVMRHPSREZQL-UHFFFAOYSA-N
XLogP12.81
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.94
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole 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

5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
CID 154592375
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140954347
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611360
2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155635930
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole?
The IUPAC name of 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole (CID 154592465) is 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole.
What is the SMILES notation for 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole?
The canonical SMILES for 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole is c1ccc(-n2ccnc2-c2cccc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cccc(-c7nccn7-c7ccccc7)c6)cc5n(-c5ccccn5)c43)c2)cc1.
What is the InChIKey of 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole?
The InChIKey is UBLVMRHPSREZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N8O2/c1-3-15-39(16-4-1)59-31-29-57-53(59)37-13-11-19-41(33-37)63-43-23-25-45-47(35-43)61(49-21-7-9-27-55-49)52-46-26-24-44(36-48(46)62(51(45)52)50-22-8-10-28-56-50)64-42-20-12-14-38(34-42)54-58-30-32-60(54)40-17-5-2-6-18-40/h1-36H.
What are the key properties of 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole?
2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole has a molecular weight of 828.94 g/mol, XLogP of 12.81, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole is sourced from PubChem (CID 154592465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).