5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole

C48H40N8O2 — CID 154592375

IUPAC5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
SMILESCc1nc(-c2cccc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cccc(-c7nc(C)c(C)n7C)c6)cc5n(-c5ccccn5)c43)c2)n(C)c1C
InChIInChI=1S/C48H40N8O2/c1-29-31(3)53(5)47(51-29)33-13-11-15-35(25-33)57-37-19-21-39-41(27-37)55(43-17-7-9-23-49-43)46-40-22-20-38(28-42(40)56(45(39)46)44-18-8-10-24-50-44)58-36-16-12-14-34(26-36)48-52-30(2)32(4)54(48)6/h7-28H,1-6H3
InChIKeyHSPGYRCOZJWUQL-UHFFFAOYSA-N
MW760.90 g/mol
LogP11.14
Rot. Bonds8

About 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole

5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole (PubChem CID 154592375) has the molecular formula C48H40N8O2 and a molecular weight of 760.90 g/mol. Its IUPAC name is 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole.

Molecular Properties

Compound Name5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
PubChem CID154592375
Molecular FormulaC48H40N8O2
Molecular Weight760.90 g/mol
Exact Mass760.33
IUPAC Name5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
SMILESCc1nc(-c2cccc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cccc(-c7nc(C)c(C)n7C)c6)cc5n(-c5ccccn5)c43)c2)n(C)c1C
InChIInChI=1S/C48H40N8O2/c1-29-31(3)53(5)47(51-29)33-13-11-15-35(25-33)57-37-19-21-39-41(27-37)55(43-17-7-9-23-49-43)46-40-22-20-38(28-42(40)56(45(39)46)44-18-8-10-24-50-44)58-36-16-12-14-34(26-36)48-52-30(2)32(4)54(48)6/h7-28H,1-6H3
InChIKeyHSPGYRCOZJWUQL-UHFFFAOYSA-N
XLogP11.14
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.90
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592465
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
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
2,7-bis[3-tert-butyl-5-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 170672566
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2,7-bis[[9-methyl-2-(3-methyl-2H-imidazol-1-yl)carbazol-4-yl]oxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592363
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
14,14-diphenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953225

Frequently Asked Questions

What is the IUPAC name of 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
The IUPAC name of 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole (CID 154592375) is 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole.
What is the SMILES notation for 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
The canonical SMILES for 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole is Cc1nc(-c2cccc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cccc(-c7nc(C)c(C)n7C)c6)cc5n(-c5ccccn5)c43)c2)n(C)c1C.
What is the InChIKey of 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
The InChIKey is HSPGYRCOZJWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N8O2/c1-29-31(3)53(5)47(51-29)33-13-11-15-35(25-33)57-37-19-21-39-41(27-37)55(43-17-7-9-23-49-43)46-40-22-20-38(28-42(40)56(45(39)46)44-18-8-10-24-50-44)58-36-16-12-14-34(26-36)48-52-30(2)32(4)54(48)6/h7-28H,1-6H3.
What are the key properties of 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole has a molecular weight of 760.90 g/mol, XLogP of 11.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole is sourced from PubChem (CID 154592375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).