4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene

C49H32S2 — CID 148698992

IUPAC4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(Cc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)c5sc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C49H32S2/c1-3-10-34(11-4-1)35-22-18-32(19-23-35)28-33-20-24-36(25-21-33)39-30-43(38-26-27-47-44(29-38)41-14-7-8-17-46(41)50-47)49-45(31-39)42-16-9-15-40(48(42)51-49)37-12-5-2-6-13-37/h1-27,29-31H,28H2
InChIKeyNUZJRTCMIPNTJI-UHFFFAOYSA-N
MW684.93 g/mol
LogP14.68
Rot. Bonds6

About 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene

4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene (PubChem CID 148698992) has the molecular formula C49H32S2 and a molecular weight of 684.93 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene
PubChem CID148698992
Molecular FormulaC49H32S2
Molecular Weight684.93 g/mol
Exact Mass684.19
IUPAC Name4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(Cc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)c5sc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C49H32S2/c1-3-10-34(11-4-1)35-22-18-32(19-23-35)28-33-20-24-36(25-21-33)39-30-43(38-26-27-47-44(29-38)41-14-7-8-17-46(41)50-47)49-45(31-39)42-16-9-15-40(48(42)51-49)37-12-5-2-6-13-37/h1-27,29-31H,28H2
InChIKeyNUZJRTCMIPNTJI-UHFFFAOYSA-N
XLogP14.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 141356979
3-benzyl-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-yldibenzothiophene
CID 167606627
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
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-[3-dibenzothiophen-2-yl-5-[4-[1-(4-dibenzothiophen-4-ylphenyl)-3-phenylpropan-2-yl]phenyl]phenyl]dibenzothiophene
CID 163477743
2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
CID 134203852
2-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene;4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene;4-[3-[4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 158944259
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
CID 156574591
4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine
CID 137465827
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
The IUPAC name of 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene (CID 148698992) is 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene is c1ccc(-c2ccc(Cc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)c5sc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
The InChIKey is NUZJRTCMIPNTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32S2/c1-3-10-34(11-4-1)35-22-18-32(19-23-35)28-33-20-24-36(25-21-33)39-30-43(38-26-27-47-44(29-38)41-14-7-8-17-46(41)50-47)49-45(31-39)42-16-9-15-40(48(42)51-49)37-12-5-2-6-13-37/h1-27,29-31H,28H2.
What are the key properties of 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene has a molecular weight of 684.93 g/mol, XLogP of 14.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-6-phenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene is sourced from PubChem (CID 148698992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).