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

C50H32N2OS — CID 70332064

IUPAC2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3ccc4sc5c(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C50H32N2OS/c1-4-10-33(11-5-1)35-16-20-37(21-17-35)42-28-29-47-45(30-42)46-32-43(38-22-18-36(19-23-38)34-12-6-2-7-13-34)31-44(48(46)54-47)39-24-26-41(27-25-39)50-52-51-49(53-50)40-14-8-3-9-15-40/h1-32H
InChIKeyAPTLCKCDQANVRI-UHFFFAOYSA-N
MW708.89 g/mol
LogP14.11
Rot. Bonds7

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

2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 70332064) has the molecular formula C50H32N2OS and a molecular weight of 708.89 g/mol. Its IUPAC name is 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID70332064
Molecular FormulaC50H32N2OS
Molecular Weight708.89 g/mol
Exact Mass708.22
IUPAC Name2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3ccc4sc5c(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C50H32N2OS/c1-4-10-33(11-5-1)35-16-20-37(21-17-35)42-28-29-47-45(30-42)46-32-43(38-22-18-36(19-23-38)34-12-6-2-7-13-34)31-44(48(46)54-47)39-24-26-41(27-25-39)50-52-51-49(53-50)40-14-8-3-9-15-40/h1-32H
InChIKeyAPTLCKCDQANVRI-UHFFFAOYSA-N
XLogP14.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 141356979
2-[4-(2,8-diphenyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazole
CID 67608627
2-[4-[2,8-bis(2-methylpropyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332057
3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
CID 66799481
3-[4-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-4,5-diphenyl-1,2,4-triazole
CID 58518659
6,11-bis[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417069
2-[4-[4-(6,8-diphenyldibenzothiophen-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838501
3-[4-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425350
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980
4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
CID 158243456

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 70332064) is 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2ccc(-c3ccc4sc5c(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.
What is the InChIKey of 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is APTLCKCDQANVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2OS/c1-4-10-33(11-5-1)35-16-20-37(21-17-35)42-28-29-47-45(30-42)46-32-43(38-22-18-36(19-23-38)34-12-6-2-7-13-34)31-44(48(46)54-47)39-24-26-41(27-25-39)50-52-51-49(53-50)40-14-8-3-9-15-40/h1-32H.
What are the key properties of 2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 708.89 g/mol, XLogP of 14.11, 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(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 70332064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).