2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole

C30H22N6O — CID 161093369

IUPAC2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
SMILESC1=CN(c2cncc(Oc3ccc4c5ccccc5n(-c5ncccn5)c4c3)c2)CN1c1ccccc1
InChIInChI=1S/C30H22N6O/c1-2-7-22(8-3-1)34-15-16-35(21-34)23-17-25(20-31-19-23)37-24-11-12-27-26-9-4-5-10-28(26)36(29(27)18-24)30-32-13-6-14-33-30/h1-20H,21H2
InChIKeyMRBKEDNFOJORQG-UHFFFAOYSA-N
MW482.55 g/mol
LogP6.52
Rot. Bonds5

About 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole

2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole (PubChem CID 161093369) has the molecular formula C30H22N6O and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
PubChem CID161093369
Molecular FormulaC30H22N6O
Molecular Weight482.55 g/mol
Exact Mass482.19
IUPAC Name2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
SMILESC1=CN(c2cncc(Oc3ccc4c5ccccc5n(-c5ncccn5)c4c3)c2)CN1c1ccccc1
InChIInChI=1S/C30H22N6O/c1-2-7-22(8-3-1)34-15-16-35(21-34)23-17-25(20-31-19-23)37-24-11-12-27-26-9-4-5-10-28(26)36(29(27)18-24)30-32-13-6-14-33-30/h1-20H,21H2
InChIKeyMRBKEDNFOJORQG-UHFFFAOYSA-N
XLogP6.52
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
CID 153428419
5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole
CID 162475982
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
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-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476395
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole (CID 161093369) is 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole is C1=CN(c2cncc(Oc3ccc4c5ccccc5n(-c5ncccn5)c4c3)c2)CN1c1ccccc1.
What is the InChIKey of 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole?
The InChIKey is MRBKEDNFOJORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6O/c1-2-7-22(8-3-1)34-15-16-35(21-34)23-17-25(20-31-19-23)37-24-11-12-27-26-9-4-5-10-28(26)36(29(27)18-24)30-32-13-6-14-33-30/h1-20H,21H2.
What are the key properties of 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole?
2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole has a molecular weight of 482.55 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 161093369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).