2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole

C50H46N4O — CID 140940225

IUPAC2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc2-c2ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)[nH]2)cc1
InChIInChI=1S/C50H46N4O/c1-4-15-34(16-5-1)39-28-26-37(55-38-27-29-43-42-21-10-11-24-46(42)54(47(43)32-38)48-25-12-13-30-51-48)31-44(39)50-52-33-45(53-50)49-40(35-17-6-2-7-18-35)22-14-23-41(49)36-19-8-3-9-20-36/h1,4-5,10-16,21-33,35-36H,2-3,6-9,17-20H2,(H,52,53)
InChIKeyQNNBXARNFDPQBH-UHFFFAOYSA-N
MW718.95 g/mol
LogP13.79
Rot. Bonds8

About 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole

2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 140940225) has the molecular formula C50H46N4O and a molecular weight of 718.95 g/mol. Its IUPAC name is 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole
PubChem CID140940225
Molecular FormulaC50H46N4O
Molecular Weight718.95 g/mol
Exact Mass718.37
IUPAC Name2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc2-c2ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)[nH]2)cc1
InChIInChI=1S/C50H46N4O/c1-4-15-34(16-5-1)39-28-26-37(55-38-27-29-43-42-21-10-11-24-46(42)54(47(43)32-38)48-25-12-13-30-51-48)31-44(39)50-52-33-45(53-50)49-40(35-17-6-2-7-18-35)22-14-23-41(49)36-19-8-3-9-20-36/h1,4-5,10-16,21-33,35-36H,2-3,6-9,17-20H2,(H,52,53)
InChIKeyQNNBXARNFDPQBH-UHFFFAOYSA-N
XLogP13.79
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.95
LogP ≤ 513.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole with MolForge

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Related Compounds

3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154627653
3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610717
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611360
(1R,8S)-10-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene
CID 162503334
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
3-[4-cyclopentyl-2,6-bis(2-methylpropyl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 140723612
2-[3-[4-(2,6-dicyclohexylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443267
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
CID 140729993

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole (CID 140940225) is 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole is c1ccc(-c2ccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc2-c2ncc(-c3c(C4CCCCC4)cccc3C3CCCCC3)[nH]2)cc1.
What is the InChIKey of 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is QNNBXARNFDPQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N4O/c1-4-15-34(16-5-1)39-28-26-37(55-38-27-29-43-42-21-10-11-24-46(42)54(47(43)32-38)48-25-12-13-30-51-48)31-44(39)50-52-33-45(53-50)49-40(35-17-6-2-7-18-35)22-14-23-41(49)36-19-8-3-9-20-36/h1,4-5,10-16,21-33,35-36H,2-3,6-9,17-20H2,(H,52,53).
What are the key properties of 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole?
2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 718.95 g/mol, XLogP of 13.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 140940225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).