6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole

C47H33N5O — CID 176871591

IUPAC6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole
SMILESc1ccc(C(=C(c2cccc(N3CN(c4ccccc4)c4ncoc43)c2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc2)cc1
InChIInChI=1S/C47H33N5O/c1-4-15-33(16-5-1)44(34-17-6-2-7-18-34)45(36-26-27-40-39-23-10-11-24-41(39)52(42(40)30-36)43-25-12-13-28-48-43)35-19-14-22-38(29-35)51-32-50(37-20-8-3-9-21-37)46-47(51)53-31-49-46/h1-31H,32H2
InChIKeyPYKLWJARBXOZAG-UHFFFAOYSA-N
MW683.82 g/mol
LogP11.42
Rot. Bonds7

About 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole

6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole (PubChem CID 176871591) has the molecular formula C47H33N5O and a molecular weight of 683.82 g/mol. Its IUPAC name is 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole.

Molecular Properties

Compound Name6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole
PubChem CID176871591
Molecular FormulaC47H33N5O
Molecular Weight683.82 g/mol
Exact Mass683.27
IUPAC Name6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole
SMILESc1ccc(C(=C(c2cccc(N3CN(c4ccccc4)c4ncoc43)c2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc2)cc1
InChIInChI=1S/C47H33N5O/c1-4-15-33(16-5-1)44(34-17-6-2-7-18-34)45(36-26-27-40-39-23-10-11-24-41(39)52(42(40)30-36)43-25-12-13-28-48-43)35-19-14-22-38(29-35)51-32-50(37-20-8-3-9-21-37)46-47(51)53-31-49-46/h1-31H,32H2
InChIKeyPYKLWJARBXOZAG-UHFFFAOYSA-N
XLogP11.42
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.82
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-1-(furan-3-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-2-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]-1,3-oxazole
CID 176871690
9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole
CID 176871554
2-[2,2-bis(3-methylimidazol-4-yl)-1-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethenyl]-9-pyridin-2-ylcarbazole
CID 176871630
6-[2,2-diphenyl-1-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethenyl]-1-phenyl-4-pyridin-2-ylimidazo[4,5-b]indole
CID 176871686
2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
CID 140679502
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diaza-8-germatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzogermole]
CID 155616684
2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole
CID 163629017
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum
CID 176871584
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole?
The IUPAC name of 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole (CID 176871591) is 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole.
What is the SMILES notation for 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole?
The canonical SMILES for 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole is c1ccc(C(=C(c2cccc(N3CN(c4ccccc4)c4ncoc43)c2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc2)cc1.
What is the InChIKey of 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole?
The InChIKey is PYKLWJARBXOZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5O/c1-4-15-33(16-5-1)44(34-17-6-2-7-18-34)45(36-26-27-40-39-23-10-11-24-41(39)52(42(40)30-36)43-25-12-13-28-48-43)35-19-14-22-38(29-35)51-32-50(37-20-8-3-9-21-37)46-47(51)53-31-49-46/h1-31H,32H2.
What are the key properties of 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole?
6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole has a molecular weight of 683.82 g/mol, XLogP of 11.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole is sourced from PubChem (CID 176871591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).