2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole

C48H30N4O2 — CID 144724841

IUPAC2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole
SMILESc1ccc(-c2nn(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)c(-c3ccccc3)c2-c2ncco2)cc1
InChIInChI=1S/C48H30N4O2/c1-4-12-31(13-5-1)46-45(48-49-26-27-53-48)47(32-14-6-2-7-15-32)52(50-46)36-22-25-44-40(30-36)39-29-34(21-24-43(39)54-44)33-20-23-42-38(28-33)37-18-10-11-19-41(37)51(42)35-16-8-3-9-17-35/h1-30H
InChIKeyPMRZKWBLURFAMV-UHFFFAOYSA-N
MW694.79 g/mol
LogP12.52
Rot. Bonds6

About 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole

2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole (PubChem CID 144724841) has the molecular formula C48H30N4O2 and a molecular weight of 694.79 g/mol. Its IUPAC name is 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole
PubChem CID144724841
Molecular FormulaC48H30N4O2
Molecular Weight694.79 g/mol
Exact Mass694.24
IUPAC Name2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole
SMILESc1ccc(-c2nn(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)c(-c3ccccc3)c2-c2ncco2)cc1
InChIInChI=1S/C48H30N4O2/c1-4-12-31(13-5-1)46-45(48-49-26-27-53-48)47(32-14-6-2-7-15-32)52(50-46)36-22-25-44-40(30-36)39-29-34(21-24-43(39)54-44)33-20-23-42-38(28-33)37-18-10-11-19-41(37)51(42)35-16-8-3-9-17-35/h1-30H
InChIKeyPMRZKWBLURFAMV-UHFFFAOYSA-N
XLogP12.52
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole (CID 144724841) is 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole is c1ccc(-c2nn(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)c(-c3ccccc3)c2-c2ncco2)cc1.
What is the InChIKey of 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole?
The InChIKey is PMRZKWBLURFAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O2/c1-4-12-31(13-5-1)46-45(48-49-26-27-53-48)47(32-14-6-2-7-15-32)52(50-46)36-22-25-44-40(30-36)39-29-34(21-24-43(39)54-44)33-20-23-42-38(28-33)37-18-10-11-19-41(37)51(42)35-16-8-3-9-17-35/h1-30H.
What are the key properties of 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole?
2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole has a molecular weight of 694.79 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 144724841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).