4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene

C108H62S3 — CID 155102375

IUPAC4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4-c4ccc5c(sc6ccccc65)c4-c4ccc5c6ccccc6c6cc(-c7ccc8c9ccccc9c9ccc(-c%10cccc(-c%11cccc%12c%11sc%11ccccc%11%12)c%10)cc9c8c7)ccc6c5c4)cccc23)cc1
InChIInChI=1S/C108H62S3/c1-2-20-63(21-3-1)72-34-17-37-92-93-38-19-39-94(107(93)111-106(72)92)99-59-68(66-43-48-82-76-26-5-4-24-74(76)75-25-8-10-30-80(75)96(82)57-66)45-51-86(99)90-54-55-95-89-33-13-15-41-103(89)110-108(95)104(90)71-47-53-83-79-29-9-11-31-81(79)97-58-67(46-52-87(97)98(83)62-71)69-44-50-85-78-28-7-6-27-77(78)84-49-42-65(60-100(84)101(85)61-69)64-22-16-23-70(56-64)73-35-18-36-91-88-32-12-14-40-102(88)109-105(73)91/h1-62H
InChIKeyMLLVFVDYBZEEFU-UHFFFAOYSA-N
MW1455.88 g/mol
LogP32.51
Rot. Bonds8

About 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene

4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene (PubChem CID 155102375) has the molecular formula C108H62S3 and a molecular weight of 1455.88 g/mol. Its IUPAC name is 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene
PubChem CID155102375
Molecular FormulaC108H62S3
Molecular Weight1455.88 g/mol
Exact Mass1454.40
IUPAC Name4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4-c4ccc5c(sc6ccccc65)c4-c4ccc5c6ccccc6c6cc(-c7ccc8c9ccccc9c9ccc(-c%10cccc(-c%11cccc%12c%11sc%11ccccc%11%12)c%10)cc9c8c7)ccc6c5c4)cccc23)cc1
InChIInChI=1S/C108H62S3/c1-2-20-63(21-3-1)72-34-17-37-92-93-38-19-39-94(107(93)111-106(72)92)99-59-68(66-43-48-82-76-26-5-4-24-74(76)75-25-8-10-30-80(75)96(82)57-66)45-51-86(99)90-54-55-95-89-33-13-15-41-103(89)110-108(95)104(90)71-47-53-83-79-29-9-11-31-81(79)97-58-67(46-52-87(97)98(83)62-71)69-44-50-85-78-28-7-6-27-77(78)84-49-42-65(60-100(84)101(85)61-69)64-22-16-23-70(56-64)73-35-18-36-91-88-32-12-14-40-102(88)109-105(73)91/h1-62H
InChIKeyMLLVFVDYBZEEFU-UHFFFAOYSA-N
XLogP32.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001455.88
LogP ≤ 532.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene with MolForge

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Related Compounds

4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
CID 146655582
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-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378

Frequently Asked Questions

What is the IUPAC name of 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene?
The IUPAC name of 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene (CID 155102375) is 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene.
What is the SMILES notation for 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene?
The canonical SMILES for 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene is c1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4-c4ccc5c(sc6ccccc65)c4-c4ccc5c6ccccc6c6cc(-c7ccc8c9ccccc9c9ccc(-c%10cccc(-c%11cccc%12c%11sc%11ccccc%11%12)c%10)cc9c8c7)ccc6c5c4)cccc23)cc1.
What is the InChIKey of 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene?
The InChIKey is MLLVFVDYBZEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H62S3/c1-2-20-63(21-3-1)72-34-17-37-92-93-38-19-39-94(107(93)111-106(72)92)99-59-68(66-43-48-82-76-26-5-4-24-74(76)75-25-8-10-30-80(75)96(82)57-66)45-51-86(99)90-54-55-95-89-33-13-15-41-103(89)110-108(95)104(90)71-47-53-83-79-29-9-11-31-81(79)97-58-67(46-52-87(97)98(83)62-71)69-44-50-85-78-28-7-6-27-77(78)84-49-42-65(60-100(84)101(85)61-69)64-22-16-23-70(56-64)73-35-18-36-91-88-32-12-14-40-102(88)109-105(73)91/h1-62H.
What are the key properties of 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene?
4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene has a molecular weight of 1455.88 g/mol, XLogP of 32.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene is sourced from PubChem (CID 155102375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).