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

C42H34N6O — CID 169031507

IUPACN,N-dimethyl-2-[5-phenyl-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]indolo[3,2-b]indol-10-yl]pyridin-4-amine
SMILESCN(C)c1ccnc(-n2c3cc(Oc4cccc(N5C=CN(c6ccccc6)C5)c4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C42H34N6O/c1-44(2)32-22-23-43-40(27-32)48-39-28-35(49-34-17-11-16-33(26-34)46-25-24-45(29-46)30-12-5-3-6-13-30)20-21-37(39)41-42(48)36-18-9-10-19-38(36)47(41)31-14-7-4-8-15-31/h3-28H,29H2,1-2H3
InChIKeyFQLBKKXHQVFNLZ-UHFFFAOYSA-N
MW638.78 g/mol
LogP9.74
Rot. Bonds7

About 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

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 (PubChem CID 169031507) has the molecular formula C42H34N6O and a molecular weight of 638.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-phenyl-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]indolo[3,2-b]indol-10-yl]pyridin-4-amine
PubChem CID169031507
Molecular FormulaC42H34N6O
Molecular Weight638.78 g/mol
Exact Mass638.28
IUPAC NameN,N-dimethyl-2-[5-phenyl-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]indolo[3,2-b]indol-10-yl]pyridin-4-amine
SMILESCN(C)c1ccnc(-n2c3cc(Oc4cccc(N5C=CN(c6ccccc6)C5)c4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C42H34N6O/c1-44(2)32-22-23-43-40(27-32)48-39-28-35(49-34-17-11-16-33(26-34)46-25-24-45(29-46)30-12-5-3-6-13-30)20-21-37(39)41-42(48)36-18-9-10-19-38(36)47(41)31-14-7-4-8-15-31/h3-28H,29H2,1-2H3
InChIKeyFQLBKKXHQVFNLZ-UHFFFAOYSA-N
XLogP9.74
TPSA41.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.78
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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-[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-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
CID 158641122
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-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
CID 161093369
[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
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccnc(-n2c3cc(Oc4cccc(N5C=CN(c6ccccc6)C5)c4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is FQLBKKXHQVFNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N6O/c1-44(2)32-22-23-43-40(27-32)48-39-28-35(49-34-17-11-16-33(26-34)46-25-24-45(29-46)30-12-5-3-6-13-30)20-21-37(39)41-42(48)36-18-9-10-19-38(36)47(41)31-14-7-4-8-15-31/h3-28H,29H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 638.78 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169031507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).