1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran

C38H24OS — CID 156552681

IUPAC1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)ccc4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H24OS/c1-3-13-25(14-4-1)27-17-7-8-19-30(27)36-31-20-9-10-21-32(31)37(39-36)35-28(26-15-5-2-6-16-26)23-24-33-29-18-11-12-22-34(29)40-38(33)35/h1-24H
InChIKeyNXXDNQCYCMQVRT-UHFFFAOYSA-N
MW528.68 g/mol
LogP11.47
Rot. Bonds4

About 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran

1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran (PubChem CID 156552681) has the molecular formula C38H24OS and a molecular weight of 528.68 g/mol. Its IUPAC name is 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran
PubChem CID156552681
Molecular FormulaC38H24OS
Molecular Weight528.68 g/mol
Exact Mass528.15
IUPAC Name1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)ccc4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H24OS/c1-3-13-25(14-4-1)27-17-7-8-19-30(27)36-31-20-9-10-21-32(31)37(39-36)35-28(26-15-5-2-6-16-26)23-24-33-29-18-11-12-22-34(29)40-38(33)35/h1-24H
InChIKeyNXXDNQCYCMQVRT-UHFFFAOYSA-N
XLogP11.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.68
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552692
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
2,9-diphenyl-1-[3-(3-phenylphenyl)-2-benzofuran-1-yl]carbazole;1-(3-phenyldibenzothiophen-4-yl)-3-(3-phenylphenyl)-2-benzofuran;9-phenyl-4-[3-(3-phenylphenyl)-2-benzofuran-1-yl]carbazole;3-phenyl-4-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 159250060
1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-(2-phenylphenyl)-2-benzofuran;2,9-diphenyl-1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]carbazole;1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran;9-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]carbazole;3-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 159773895
1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552693
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789332
2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 167349007
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277433
N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 135277376
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442293
2-phenyl-4-[8-(4-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744157

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran?
The IUPAC name of 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran (CID 156552681) is 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran.
What is the SMILES notation for 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran?
The canonical SMILES for 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran is c1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)ccc4c3sc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran?
The InChIKey is NXXDNQCYCMQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24OS/c1-3-13-25(14-4-1)27-17-7-8-19-30(27)36-31-20-9-10-21-32(31)37(39-36)35-28(26-15-5-2-6-16-26)23-24-33-29-18-11-12-22-34(29)40-38(33)35/h1-24H.
What are the key properties of 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran?
1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran has a molecular weight of 528.68 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran is sourced from PubChem (CID 156552681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).