2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole

C77H49NO2S2 — CID 156553715

IUPAC2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c(-c7sc(-c8ccccc8-c8ccccc8)c8ccccc78)o6)c5)cc4)c3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/C77H49NO2S2/c1-5-23-51(24-6-1)58-33-13-15-35-61(58)73-63-37-17-19-39-65(63)75(81-73)71-60(41-22-42-67(71)69-49-79-77(78-69)55-29-11-4-12-30-55)54-45-43-50(44-46-54)56-31-21-32-57(47-56)70-48-68(53-27-9-3-10-28-53)72(80-70)76-66-40-20-18-38-64(66)74(82-76)62-36-16-14-34-59(62)52-25-7-2-8-26-52/h1-49H
InChIKeyJKQWRLPGQIIVSM-UHFFFAOYSA-N
MW1084.38 g/mol
LogP22.70
Rot. Bonds12

About 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole

2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole (PubChem CID 156553715) has the molecular formula C77H49NO2S2 and a molecular weight of 1084.38 g/mol. Its IUPAC name is 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
PubChem CID156553715
Molecular FormulaC77H49NO2S2
Molecular Weight1084.38 g/mol
Exact Mass1083.32
IUPAC Name2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c(-c7sc(-c8ccccc8-c8ccccc8)c8ccccc78)o6)c5)cc4)c3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/C77H49NO2S2/c1-5-23-51(24-6-1)58-33-13-15-35-61(58)73-63-37-17-19-39-65(63)75(81-73)71-60(41-22-42-67(71)69-49-79-77(78-69)55-29-11-4-12-30-55)54-45-43-50(44-46-54)56-31-21-32-57(47-56)70-48-68(53-27-9-3-10-28-53)72(80-70)76-66-40-20-18-38-64(66)74(82-76)62-36-16-14-34-59(62)52-25-7-2-8-26-52/h1-49H
InChIKeyJKQWRLPGQIIVSM-UHFFFAOYSA-N
XLogP22.70
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.38
LogP ≤ 522.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole (CID 156553715) is 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c(-c7sc(-c8ccccc8-c8ccccc8)c8ccccc78)o6)c5)cc4)c3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)co2)cc1.
What is the InChIKey of 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
The InChIKey is JKQWRLPGQIIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49NO2S2/c1-5-23-51(24-6-1)58-33-13-15-35-61(58)73-63-37-17-19-39-65(63)75(81-73)71-60(41-22-42-67(71)69-49-79-77(78-69)55-29-11-4-12-30-55)54-45-43-50(44-46-54)56-31-21-32-57(47-56)70-48-68(53-27-9-3-10-28-53)72(80-70)76-66-40-20-18-38-64(66)74(82-76)62-36-16-14-34-59(62)52-25-7-2-8-26-52/h1-49H.
What are the key properties of 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole has a molecular weight of 1084.38 g/mol, XLogP of 22.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-3-[4-[3-[4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 156553715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).