2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

C34H32N2OS — CID 70332057

IUPAC2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)Cc1ccc2sc3c(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc(CC(C)C)cc3c2c1
InChIInChI=1S/C34H32N2OS/c1-21(2)16-23-10-15-31-29(18-23)30-20-24(17-22(3)4)19-28(32(30)38-31)25-11-13-27(14-12-25)34-36-35-33(37-34)26-8-6-5-7-9-26/h5-15,18-22H,16-17H2,1-4H3
InChIKeyYFGOYAXVMQIDPS-UHFFFAOYSA-N
MW516.71 g/mol
LogP9.84
Rot. Bonds7

About 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 70332057) has the molecular formula C34H32N2OS and a molecular weight of 516.71 g/mol. Its IUPAC name is 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID70332057
Molecular FormulaC34H32N2OS
Molecular Weight516.71 g/mol
Exact Mass516.22
IUPAC Name2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)Cc1ccc2sc3c(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc(CC(C)C)cc3c2c1
InChIInChI=1S/C34H32N2OS/c1-21(2)16-23-10-15-31-29(18-23)30-20-24(17-22(3)4)19-28(32(30)38-31)25-11-13-27(14-12-25)34-36-35-33(37-34)26-8-6-5-7-9-26/h5-15,18-22H,16-17H2,1-4H3
InChIKeyYFGOYAXVMQIDPS-UHFFFAOYSA-N
XLogP9.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.71
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332064
2-[4-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332069
2-[4-[2,8-bis(4-tert-butylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332081
3-[4-[2-(2-methylpropyl)-8-propyldibenzothiophen-4-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 163630267
2-[4-(2,8-diethyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazole
CID 67888393
2,8-bis(2-methylpropyl)-4-(4-phenanthren-9-ylphenyl)dibenzothiophene;2,8-dibutyl-4-(4-phenanthren-9-ylphenyl)dibenzothiophene;4-(4-phenanthren-9-ylphenyl)-2,8-di(propan-2-yl)dibenzothiophene
CID 158877747
4-[6-[2,8-bis(2-methylpropyl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-methylpropyl)dibenzofuran;4-[6-[2,8-bis(2-phenylphenyl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-phenylphenyl)dibenzothiophene;4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophene;2,8-ditert-butyl-4-[6-(2,8-ditert-butyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran
CID 160765511
4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 141356979
2-[4-(2,8-diphenyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazole
CID 67608627
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2,5-bis(3-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332108
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 70332057) is 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is CC(C)Cc1ccc2sc3c(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc(CC(C)C)cc3c2c1.
What is the InChIKey of 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is YFGOYAXVMQIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2OS/c1-21(2)16-23-10-15-31-29(18-23)30-20-24(17-22(3)4)19-28(32(30)38-31)25-11-13-27(14-12-25)34-36-35-33(37-34)26-8-6-5-7-9-26/h5-15,18-22H,16-17H2,1-4H3.
What are the key properties of 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 516.71 g/mol, XLogP of 9.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 70332057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).