2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

C50H30N4OS — CID 118530431

IUPAC2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccc(-c6c(-n7c8ccccc8c8ccccc87)ccc7c6sc6ccccc67)cc54)c3)o2)cc1
InChIInChI=1S/C50H30N4OS/c1-2-13-31(14-3-1)49-51-52-50(55-49)33-15-12-16-34(29-33)53-41-21-8-4-19-37(41)38-26-25-32(30-45(38)53)47-44(28-27-40-39-20-7-11-24-46(39)56-48(40)47)54-42-22-9-5-17-35(42)36-18-6-10-23-43(36)54/h1-30H
InChIKeyPWVMMOZRQGJCMQ-UHFFFAOYSA-N
MW734.88 g/mol
LogP13.63
Rot. Bonds5

About 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 118530431) has the molecular formula C50H30N4OS and a molecular weight of 734.88 g/mol. Its IUPAC name is 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID118530431
Molecular FormulaC50H30N4OS
Molecular Weight734.88 g/mol
Exact Mass734.21
IUPAC Name2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccc(-c6c(-n7c8ccccc8c8ccccc87)ccc7c6sc6ccccc67)cc54)c3)o2)cc1
InChIInChI=1S/C50H30N4OS/c1-2-13-31(14-3-1)49-51-52-50(55-49)33-15-12-16-34(29-33)53-41-21-8-4-19-37(41)38-26-25-32(30-45(38)53)47-44(28-27-40-39-20-7-11-24-46(39)56-48(40)47)54-42-22-9-5-17-35(42)36-18-6-10-23-43(36)54/h1-30H
InChIKeyPWVMMOZRQGJCMQ-UHFFFAOYSA-N
XLogP13.63
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.88
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593782
2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 126609037
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 118530431) is 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccc(-c6c(-n7c8ccccc8c8ccccc87)ccc7c6sc6ccccc67)cc54)c3)o2)cc1.
What is the InChIKey of 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PWVMMOZRQGJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4OS/c1-2-13-31(14-3-1)49-51-52-50(55-49)33-15-12-16-34(29-33)53-41-21-8-4-19-37(41)38-26-25-32(30-45(38)53)47-44(28-27-40-39-20-7-11-24-46(39)56-48(40)47)54-42-22-9-5-17-35(42)36-18-6-10-23-43(36)54/h1-30H.
What are the key properties of 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 734.88 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 118530431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).