2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole

C38H33N5O — CID 169031337

IUPAC2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
SMILESCC(C)c1ccnc(-n2c3cc(Oc4cccc(N5C=CN(C)C5)c4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C38H33N5O/c1-26(2)27-18-19-39-36(22-27)43-35-24-31(44-30-13-9-12-29(23-30)41-21-20-40(3)25-41)16-17-33(35)37-38(43)32-14-7-8-15-34(32)42(37)28-10-5-4-6-11-28/h4-24,26H,25H2,1-3H3
InChIKeyJICKTOBGJROABA-UHFFFAOYSA-N
MW575.72 g/mol
LogP9.22
Rot. Bonds6

About 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole

2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole (PubChem CID 169031337) has the molecular formula C38H33N5O and a molecular weight of 575.72 g/mol. Its IUPAC name is 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole.

Molecular Properties

Compound Name2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
PubChem CID169031337
Molecular FormulaC38H33N5O
Molecular Weight575.72 g/mol
Exact Mass575.27
IUPAC Name2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
SMILESCC(C)c1ccnc(-n2c3cc(Oc4cccc(N5C=CN(C)C5)c4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C38H33N5O/c1-26(2)27-18-19-39-36(22-27)43-35-24-31(44-30-13-9-12-29(23-30)41-21-20-40(3)25-41)16-17-33(35)37-38(43)32-14-7-8-15-34(32)42(37)28-10-5-4-6-11-28/h4-24,26H,25H2,1-3H3
InChIKeyJICKTOBGJROABA-UHFFFAOYSA-N
XLogP9.22
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[5-phenyl-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]indolo[3,2-b]indol-10-yl]pyridin-4-amine
CID 169031507
2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indole
CID 169031306
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole
CID 155636278
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
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153413086
2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
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-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane
CID 169031493
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole?
The IUPAC name of 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole (CID 169031337) is 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole.
What is the SMILES notation for 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole?
The canonical SMILES for 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole is CC(C)c1ccnc(-n2c3cc(Oc4cccc(N5C=CN(C)C5)c4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole?
The InChIKey is JICKTOBGJROABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N5O/c1-26(2)27-18-19-39-36(22-27)43-35-24-31(44-30-13-9-12-29(23-30)41-21-20-40(3)25-41)16-17-33(35)37-38(43)32-14-7-8-15-34(32)42(37)28-10-5-4-6-11-28/h4-24,26H,25H2,1-3H3.
What are the key properties of 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole?
2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole has a molecular weight of 575.72 g/mol, XLogP of 9.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole is sourced from PubChem (CID 169031337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).