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

C100H60S4 — CID 157269152

IUPAC1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5sc5ccccc56)c4cc4c(-c5cccc6c5sc5ccccc56)cccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6sc7ccccc7c56)c4cc4c(-c5cccc6sc7ccccc7c56)cccc34)cc2)cc1
InChIInChI=1S/2C50H30S2/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;1-2-12-31(13-3-1)32-26-28-33(29-27-32)48-38-18-8-16-34(36-20-10-24-46-49(36)40-14-4-6-22-44(40)51-46)42(38)30-43-35(17-9-19-39(43)48)37-21-11-25-47-50(37)41-15-5-7-23-45(41)52-47/h2*1-30H
InChIKeyAYIILMGOSVNWIY-UHFFFAOYSA-N
MW1389.85 g/mol
LogP30.79
Rot. Bonds8

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

1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene (PubChem CID 157269152) has the molecular formula C100H60S4 and a molecular weight of 1389.85 g/mol. Its IUPAC name is 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene.

Molecular Properties

Compound Name1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
PubChem CID157269152
Molecular FormulaC100H60S4
Molecular Weight1389.85 g/mol
Exact Mass1388.36
IUPAC Name1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5sc5ccccc56)c4cc4c(-c5cccc6c5sc5ccccc56)cccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6sc7ccccc7c56)c4cc4c(-c5cccc6sc7ccccc7c56)cccc34)cc2)cc1
InChIInChI=1S/2C50H30S2/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;1-2-12-31(13-3-1)32-26-28-33(29-27-32)48-38-18-8-16-34(36-20-10-24-46-49(36)40-14-4-6-22-44(40)51-46)42(38)30-43-35(17-9-19-39(43)48)37-21-11-25-47-50(37)41-15-5-7-23-45(41)52-47/h2*1-30H
InChIKeyAYIILMGOSVNWIY-UHFFFAOYSA-N
XLogP30.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001389.85
LogP ≤ 530.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene with MolForge

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Related Compounds

4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
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
6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
CID 90209671
12-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 122426977
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 122427284
3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene
CID 165035673

Frequently Asked Questions

What is the IUPAC name of 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The IUPAC name of 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) is 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene.
What is the SMILES notation for 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The canonical SMILES for 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene is c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5sc5ccccc56)c4cc4c(-c5cccc6c5sc5ccccc56)cccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6sc7ccccc7c56)c4cc4c(-c5cccc6sc7ccccc7c56)cccc34)cc2)cc1.
What is the InChIKey of 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
The InChIKey is AYIILMGOSVNWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30S2/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;1-2-12-31(13-3-1)32-26-28-33(29-27-32)48-38-18-8-16-34(36-20-10-24-46-49(36)40-14-4-6-22-44(40)51-46)42(38)30-43-35(17-9-19-39(43)48)37-21-11-25-47-50(37)41-15-5-7-23-45(41)52-47/h2*1-30H.
What are the key properties of 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene?
1-[8-dibenzothiophen-1-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 1389.85 g/mol, XLogP of 30.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene is sourced from PubChem (CID 157269152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).