3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

C50H30OS — CID 167306851

IUPAC3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc5oc6ccccc6c45)cc3)c3ccccc23)cc1
InChIInChI=1S/C50H30OS/c1-2-12-32(13-3-1)48-37-15-4-6-17-39(37)49(40-18-7-5-16-38(40)48)33-24-22-31(23-25-33)42-29-35(30-45-50(42)41-19-8-10-20-44(41)51-45)34-26-27-47-43(28-34)36-14-9-11-21-46(36)52-47/h1-30H
InChIKeyJGNOOLXMOPKXKN-UHFFFAOYSA-N
MW678.86 g/mol
LogP14.93
Rot. Bonds4

About 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 167306851) has the molecular formula C50H30OS and a molecular weight of 678.86 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID167306851
Molecular FormulaC50H30OS
Molecular Weight678.86 g/mol
Exact Mass678.20
IUPAC Name3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc5oc6ccccc6c45)cc3)c3ccccc23)cc1
InChIInChI=1S/C50H30OS/c1-2-12-32(13-3-1)48-37-15-4-6-17-39(37)49(40-18-7-5-16-38(40)48)33-24-22-31(23-25-33)42-29-35(30-45-50(42)41-19-8-10-20-44(41)51-45)34-26-27-47-43(28-34)36-14-9-11-21-46(36)52-47/h1-30H
InChIKeyJGNOOLXMOPKXKN-UHFFFAOYSA-N
XLogP14.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.86
LogP ≤ 514.93
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

3-naphtho[1,2-b][1]benzothiol-8-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167306835
2-dibenzothiophen-2-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301810
12-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 122415855
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185550
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
4-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[3,2-f][1]benzofuran
CID 174254661
2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378539
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
17-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130185611
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 167306851) is 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc5oc6ccccc6c45)cc3)c3ccccc23)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is JGNOOLXMOPKXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30OS/c1-2-12-32(13-3-1)48-37-15-4-6-17-39(37)49(40-18-7-5-16-38(40)48)33-24-22-31(23-25-33)42-29-35(30-45-50(42)41-19-8-10-20-44(41)51-45)34-26-27-47-43(28-34)36-14-9-11-21-46(36)52-47/h1-30H.
What are the key properties of 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 678.86 g/mol, XLogP of 14.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 167306851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).