2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene

C108H62S3 — CID 134203852

IUPAC2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7cc(-c8ccc9sc%10c(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)cccc%10c9c8)ccc7c6c5)ccc4-c4ccc5c6cc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)ccc6c6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C108H62S3/c1-2-19-63(20-3-1)74-32-15-36-92-93-37-18-38-94(108(93)111-107(74)92)96-56-66(41-48-73(96)71-45-53-89-98-57-65(42-49-85(98)81-27-8-11-30-84(81)101(89)61-71)64-21-14-22-70(55-64)75-33-16-35-91-90-31-12-13-40-103(90)109-105(75)91)67-43-50-86-80-26-7-10-29-83(80)97-58-68(44-51-88(97)99(86)59-67)69-47-54-104-102(60-69)95-39-17-34-76(106(95)110-104)72-46-52-87-79-25-5-4-23-77(79)78-24-6-9-28-82(78)100(87)62-72/h1-62H
InChIKeyVNJLXUSMZBVFKO-UHFFFAOYSA-N
MW1455.88 g/mol
LogP32.51
Rot. Bonds8

About 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene

2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene (PubChem CID 134203852) has the molecular formula C108H62S3 and a molecular weight of 1455.88 g/mol. Its IUPAC name is 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene.

Molecular Properties

Compound Name2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
PubChem CID134203852
Molecular FormulaC108H62S3
Molecular Weight1455.88 g/mol
Exact Mass1454.40
IUPAC Name2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7cc(-c8ccc9sc%10c(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)cccc%10c9c8)ccc7c6c5)ccc4-c4ccc5c6cc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)ccc6c6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C108H62S3/c1-2-19-63(20-3-1)74-32-15-36-92-93-37-18-38-94(108(93)111-107(74)92)96-56-66(41-48-73(96)71-45-53-89-98-57-65(42-49-85(98)81-27-8-11-30-84(81)101(89)61-71)64-21-14-22-70(55-64)75-33-16-35-91-90-31-12-13-40-103(90)109-105(75)91)67-43-50-86-80-26-7-10-29-83(80)97-58-68(44-51-88(97)99(86)59-67)69-47-54-104-102(60-69)95-39-17-34-76(106(95)110-104)72-46-52-87-79-25-5-4-23-77(79)78-24-6-9-28-82(78)100(87)62-72/h1-62H
InChIKeyVNJLXUSMZBVFKO-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 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene with MolForge

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Related Compounds

2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
CID 146655582
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
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
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
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene?
The IUPAC name of 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) is 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene.
What is the SMILES notation for 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene?
The canonical SMILES for 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene is c1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7cc(-c8ccc9sc%10c(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)cccc%10c9c8)ccc7c6c5)ccc4-c4ccc5c6cc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)ccc6c6ccccc6c5c4)cccc23)cc1.
What is the InChIKey of 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene?
The InChIKey is VNJLXUSMZBVFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H62S3/c1-2-19-63(20-3-1)74-32-15-36-92-93-37-18-38-94(108(93)111-107(74)92)96-56-66(41-48-73(96)71-45-53-89-98-57-65(42-49-85(98)81-27-8-11-30-84(81)101(89)61-71)64-21-14-22-70(55-64)75-33-16-35-91-90-31-12-13-40-103(90)109-105(75)91)67-43-50-86-80-26-7-10-29-83(80)97-58-68(44-51-88(97)99(86)59-67)69-47-54-104-102(60-69)95-39-17-34-76(106(95)110-104)72-46-52-87-79-25-5-4-23-77(79)78-24-6-9-28-82(78)100(87)62-72/h1-62H.
What are the key properties of 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene?
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene 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 2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene is sourced from PubChem (CID 134203852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).