2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran

C42H24O2S2 — CID 167099909

IUPAC2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran
SMILESc1ccc(-c2ccc3cc(-c4cc5cc6cc7oc(-c8cc9ccc(-c%10ccccc%10)cc9s8)cc7cc6cc5o4)sc3c2)cc1
InChIInChI=1S/C42H24O2S2/c1-3-7-25(8-4-1)27-11-13-29-23-41(45-39(29)21-27)37-19-33-15-31-18-36-34(16-32(31)17-35(33)43-37)20-38(44-36)42-24-30-14-12-28(22-40(30)46-42)26-9-5-2-6-10-26/h1-24H
InChIKeyFZXODHYOYVOMGV-UHFFFAOYSA-N
MW624.79 g/mol
LogP13.43
Rot. Bonds4

About 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran

2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran (PubChem CID 167099909) has the molecular formula C42H24O2S2 and a molecular weight of 624.79 g/mol. Its IUPAC name is 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran.

Molecular Properties

Compound Name2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran
PubChem CID167099909
Molecular FormulaC42H24O2S2
Molecular Weight624.79 g/mol
Exact Mass624.12
IUPAC Name2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran
SMILESc1ccc(-c2ccc3cc(-c4cc5cc6cc7oc(-c8cc9ccc(-c%10ccccc%10)cc9s8)cc7cc6cc5o4)sc3c2)cc1
InChIInChI=1S/C42H24O2S2/c1-3-7-25(8-4-1)27-11-13-29-23-41(45-39(29)21-27)37-19-33-15-31-18-36-34(16-32(31)17-35(33)43-37)20-38(44-36)42-24-30-14-12-28(22-40(30)46-42)26-9-5-2-6-10-26/h1-24H
InChIKeyFZXODHYOYVOMGV-UHFFFAOYSA-N
XLogP13.43
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(2-phenyl-1-benzothiophen-5-yl)phenyl]-2-[4-(2-phenyl-1-benzothiophen-6-yl)phenyl]-[1]benzofuro[6,5-f][1]benzofuran
CID 167099939
2,7-bis(2-phenyl-1-benzothiophen-6-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314051
5-phenyl-2-[4-[2-[4-(5-phenyl-1-benzofuran-2-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]phenyl]-1-benzofuran
CID 138646490
6-[6-(2-phenyl-1-benzothiophen-6-yl)naphthalen-2-yl]-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
CID 167364033
2,7-diphenylanthracene
CID 154020316
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650
4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline
CID 165055110
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
2-phenyl-1-benzothiophen-6-ol
CID 11117751
2-phenylfuro[3,2-g]chromen-7-one
CID 102313013
6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine
CID 171415491
6,16-bis[4-(4-phenylphenyl)phenyl]-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 164729603

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran?
The IUPAC name of 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran (CID 167099909) is 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran.
What is the SMILES notation for 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran?
The canonical SMILES for 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran is c1ccc(-c2ccc3cc(-c4cc5cc6cc7oc(-c8cc9ccc(-c%10ccccc%10)cc9s8)cc7cc6cc5o4)sc3c2)cc1.
What is the InChIKey of 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran?
The InChIKey is FZXODHYOYVOMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O2S2/c1-3-7-25(8-4-1)27-11-13-29-23-41(45-39(29)21-27)37-19-33-15-31-18-36-34(16-32(31)17-35(33)43-37)20-38(44-36)42-24-30-14-12-28(22-40(30)46-42)26-9-5-2-6-10-26/h1-24H.
What are the key properties of 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran?
2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran has a molecular weight of 624.79 g/mol, XLogP of 13.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(6-phenyl-1-benzothiophen-2-yl)-[1]benzofuro[6,5-f][1]benzofuran is sourced from PubChem (CID 167099909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).