6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran

C42H26OS — CID 118349956

IUPAC6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5oc6c(-c7ccc8sc9ccccc9c8c7)cccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C42H26OS/c1-2-8-27(9-3-1)28-16-18-29(19-17-28)30-10-6-11-31(24-30)32-20-22-39-37(25-32)36-14-7-13-34(42(36)43-39)33-21-23-41-38(26-33)35-12-4-5-15-40(35)44-41/h1-26H
InChIKeyQTWIOXGCJOKLHP-UHFFFAOYSA-N
MW578.74 g/mol
LogP12.62
Rot. Bonds4

About 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran

6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran (PubChem CID 118349956) has the molecular formula C42H26OS and a molecular weight of 578.74 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
PubChem CID118349956
Molecular FormulaC42H26OS
Molecular Weight578.74 g/mol
Exact Mass578.17
IUPAC Name6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5oc6c(-c7ccc8sc9ccccc9c8c7)cccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C42H26OS/c1-2-8-27(9-3-1)28-16-18-29(19-17-28)30-10-6-11-31(24-30)32-20-22-39-37(25-32)36-14-7-13-34(42(36)43-39)33-21-23-41-38(26-33)35-12-4-5-15-40(35)44-41/h1-26H
InChIKeyQTWIOXGCJOKLHP-UHFFFAOYSA-N
XLogP12.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.74
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
3-dibenzofuran-4-yl-7-(4-dibenzothiophen-2-ylphenyl)dibenzofuran;2-[3-[7-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]phenyl]dibenzofuran;2-[3-(7-dibenzothiophen-3-yldibenzothiophen-3-yl)phenyl]dibenzofuran;3-dibenzothiophen-3-yl-7-(1-phenyldibenzothiophen-3-yl)dibenzofuran
CID 165104594
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
2-dibenzofuran-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585439
6-(3-dibenzofuran-4-yl-5-triphenylen-2-ylphenyl)-3-[7-(4-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]dibenzofuran
CID 155257383
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158694550
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;bis(4-phenyl-N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);4-phenyl-N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 161461949

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran?
The IUPAC name of 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran (CID 118349956) is 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran is c1ccc(-c2ccc(-c3cccc(-c4ccc5oc6c(-c7ccc8sc9ccccc9c8c7)cccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran?
The InChIKey is QTWIOXGCJOKLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26OS/c1-2-8-27(9-3-1)28-16-18-29(19-17-28)30-10-6-11-31(24-30)32-20-22-39-37(25-32)36-14-7-13-34(42(36)43-39)33-21-23-41-38(26-33)35-12-4-5-15-40(35)44-41/h1-26H.
What are the key properties of 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran?
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran has a molecular weight of 578.74 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 118349956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).