4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene

C50H30S2 — CID 155333209

IUPAC4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5sc5ccccc56)c4cc4c(-c5cccc6c5sc5ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C50H30S2/c1-2-12-31(13-3-1)32-26-28-33(29-27-32)48-38-18-8-16-34(40-20-10-22-42-36-14-4-6-24-46(36)51-49(40)42)44(38)30-45-35(17-9-19-39(45)48)41-21-11-23-43-37-15-5-7-25-47(37)52-50(41)43/h1-30H
InChIKeyRVLCELCOSUDCEE-UHFFFAOYSA-N
MW694.92 g/mol
LogP15.40
Rot. Bonds4

About 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene

4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene (PubChem CID 155333209) has the molecular formula C50H30S2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene.

Molecular Properties

Compound Name4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
PubChem CID155333209
Molecular FormulaC50H30S2
Molecular Weight694.92 g/mol
Exact Mass694.18
IUPAC Name4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5sc5ccccc56)c4cc4c(-c5cccc6c5sc5ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C50H30S2/c1-2-12-31(13-3-1)32-26-28-33(29-27-32)48-38-18-8-16-34(40-20-10-22-42-36-14-4-6-24-46(36)51-49(40)42)44(38)30-45-35(17-9-19-39(45)48)41-21-11-23-43-37-15-5-7-25-47(37)52-50(41)43/h1-30H
InChIKeyRVLCELCOSUDCEE-UHFFFAOYSA-N
XLogP15.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 157269152
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene
CID 90209780
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 155763933
6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
CID 90209671
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935

Frequently Asked Questions

What is the IUPAC name of 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The IUPAC name of 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene (CID 155333209) is 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene.
What is the SMILES notation for 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The canonical SMILES for 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene is c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5sc5ccccc56)c4cc4c(-c5cccc6c5sc5ccccc56)cccc34)cc2)cc1.
What is the InChIKey of 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The InChIKey is RVLCELCOSUDCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30S2/c1-2-12-31(13-3-1)32-26-28-33(29-27-32)48-38-18-8-16-34(40-20-10-22-42-36-14-4-6-24-46(36)51-49(40)42)44(38)30-45-35(17-9-19-39(45)48)41-21-11-23-43-37-15-5-7-25-47(37)52-50(41)43/h1-30H.
What are the key properties of 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene has a molecular weight of 694.92 g/mol, XLogP of 15.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene is sourced from PubChem (CID 155333209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).