1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole

C52H33N3O — CID 59691239

IUPAC1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5oc6ccccc6n5c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1
InChIInChI=1S/C52H33N3O/c1-3-15-36(16-4-1)52(37-17-5-2-6-18-37)43-22-10-7-19-39(43)40-32-29-35(33-44(40)52)49-50(55-47-25-13-14-26-48(47)56-51(55)53-49)34-27-30-38(31-28-34)54-45-23-11-8-20-41(45)42-21-9-12-24-46(42)54/h1-33H
InChIKeyJGIJRHKLGZZXET-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.87
Rot. Bonds5

About 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole

1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole (PubChem CID 59691239) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole
PubChem CID59691239
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5oc6ccccc6n5c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1
InChIInChI=1S/C52H33N3O/c1-3-15-36(16-4-1)52(37-17-5-2-6-18-37)43-22-10-7-19-39(43)40-32-29-35(33-44(40)52)49-50(55-47-25-13-14-26-48(47)56-51(55)53-49)34-27-30-38(31-28-34)54-45-23-11-8-20-41(45)42-21-9-12-24-46(42)54/h1-33H
InChIKeyJGIJRHKLGZZXET-UHFFFAOYSA-N
XLogP12.87
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14-(9,9-diphenylfluoren-2-yl)-11-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513036
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222
22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474785
9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
22-[4-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474810
14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 157175600
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
CID 59307089

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole (CID 59691239) is 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5oc6ccccc6n5c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1.
What is the InChIKey of 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is JGIJRHKLGZZXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-3-15-36(16-4-1)52(37-17-5-2-6-18-37)43-22-10-7-19-39(43)40-32-29-35(33-44(40)52)49-50(55-47-25-13-14-26-48(47)56-51(55)53-49)34-27-30-38(31-28-34)54-45-23-11-8-20-41(45)42-21-9-12-24-46(42)54/h1-33H.
What are the key properties of 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole?
1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 715.86 g/mol, XLogP of 12.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59691239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).