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

C56H60N8O2 — CID 170672566

IUPAC2,7-bis[3-tert-butyl-5-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
SMILESCC1=C(C)N(c2cc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cc(N7CN(C)C(C)=C7C)cc(C(C)(C)C)c6)cc5n(-c5ccccn5)c43)cc(C(C)(C)C)c2)CN1C
InChIInChI=1S/C56H60N8O2/c1-35-37(3)61(33-59(35)11)41-25-39(55(5,6)7)27-45(29-41)65-43-19-21-47-49(31-43)63(51-17-13-15-23-57-51)54-48-22-20-44(32-50(48)64(53(47)54)52-18-14-16-24-58-52)66-46-28-40(56(8,9)10)26-42(30-46)62-34-60(12)36(2)38(62)4/h13-32H,33-34H2,1-12H3
InChIKeyYZPNLYMGIAJIHW-UHFFFAOYSA-N
MW877.15 g/mol
LogP13.62
Rot. Bonds8

About 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

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 (PubChem CID 170672566) has the molecular formula C56H60N8O2 and a molecular weight of 877.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,7-bis[3-tert-butyl-5-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
PubChem CID170672566
Molecular FormulaC56H60N8O2
Molecular Weight877.15 g/mol
Exact Mass876.48
IUPAC Name2,7-bis[3-tert-butyl-5-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
SMILESCC1=C(C)N(c2cc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cc(N7CN(C)C(C)=C7C)cc(C(C)(C)C)c6)cc5n(-c5ccccn5)c43)cc(C(C)(C)C)c2)CN1C
InChIInChI=1S/C56H60N8O2/c1-35-37(3)61(33-59(35)11)41-25-39(55(5,6)7)27-45(29-41)65-43-19-21-47-49(31-43)63(51-17-13-15-23-57-51)54-48-22-20-44(32-50(48)64(53(47)54)52-18-14-16-24-58-52)66-46-28-40(56(8,9)10)26-42(30-46)62-34-60(12)36(2)38(62)4/h13-32H,33-34H2,1-12H3
InChIKeyYZPNLYMGIAJIHW-UHFFFAOYSA-N
XLogP13.62
TPSA67.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771880
2-[3-tert-butyl-5-[3-(3,5-diphenylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651750
5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771936
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
1-[3-tert-butyl-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-methyl-2H-[1]benzothiolo[2,3-e]benzimidazole
CID 155794755
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]indolo[3,2-b]indole
CID 169031348
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C)N(c2cc(Oc3ccc4c(c3)n(-c3ccccn3)c3c5ccc(Oc6cc(N7CN(C)C(C)=C7C)cc(C(C)(C)C)c6)cc5n(-c5ccccn5)c43)cc(C(C)(C)C)c2)CN1C.
What is the InChIKey of 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?
The InChIKey is YZPNLYMGIAJIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60N8O2/c1-35-37(3)61(33-59(35)11)41-25-39(55(5,6)7)27-45(29-41)65-43-19-21-47-49(31-43)63(51-17-13-15-23-57-51)54-48-22-20-44(32-50(48)64(53(47)54)52-18-14-16-24-58-52)66-46-28-40(56(8,9)10)26-42(30-46)62-34-60(12)36(2)38(62)4/h13-32H,33-34H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 877.15 g/mol, XLogP of 13.62, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170672566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).