2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene

C72H44S — CID 90209780

IUPAC2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc6c5sc5ccccc56)ccc-3c24)cc1
InChIInChI=1S/C72H44S/c1-6-23-45(24-7-1)63-54-34-16-18-36-56(54)64(57-37-19-17-35-55(57)63)50-43-60(72-61(44-50)52-33-20-21-40-62(52)73-72)51-41-42-59-69-53(51)38-22-39-58(69)70-67(48-29-12-4-13-30-48)65(46-25-8-2-9-26-46)66(47-27-10-3-11-28-47)68(71(59)70)49-31-14-5-15-32-49/h1-44H
InChIKeyWUZSGMKPWVXAAL-UHFFFAOYSA-N
MW941.21 g/mol
LogP20.83
Rot. Bonds7

About 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene

2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene (PubChem CID 90209780) has the molecular formula C72H44S and a molecular weight of 941.21 g/mol. Its IUPAC name is 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene.

Molecular Properties

Compound Name2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene
PubChem CID90209780
Molecular FormulaC72H44S
Molecular Weight941.21 g/mol
Exact Mass940.32
IUPAC Name2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc6c5sc5ccccc56)ccc-3c24)cc1
InChIInChI=1S/C72H44S/c1-6-23-45(24-7-1)63-54-34-16-18-36-56(54)64(57-37-19-17-35-55(57)63)50-43-60(72-61(44-50)52-33-20-21-40-62(52)73-72)51-41-42-59-69-53(51)38-22-39-58(69)70-67(48-29-12-4-13-30-48)65(46-25-8-2-9-26-46)66(47-27-10-3-11-28-47)68(71(59)70)49-31-14-5-15-32-49/h1-44H
InChIKeyWUZSGMKPWVXAAL-UHFFFAOYSA-N
XLogP20.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.21
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(10-phenylanthracen-9-yl)-4-(7,8,11,12-tetraphenylbenzo[k]fluoranthen-3-yl)dibenzothiophene
CID 90209751
6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
CID 90209671
4-(7,8,11,12-tetraphenylbenzo[k]fluoranthen-3-yl)dibenzothiophene
CID 90209868
4-[7,12-bis(4-methylphenyl)benzo[k]fluoranthen-3-yl]-2-pyren-1-yldibenzothiophene
CID 90209705
4-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-3-yl)-2,8-diphenyldibenzothiophene
CID 90209846
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
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
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene?
The IUPAC name of 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene (CID 90209780) is 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene.
What is the SMILES notation for 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene?
The canonical SMILES for 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc6c5sc5ccccc56)ccc-3c24)cc1.
What is the InChIKey of 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene?
The InChIKey is WUZSGMKPWVXAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44S/c1-6-23-45(24-7-1)63-54-34-16-18-36-56(54)64(57-37-19-17-35-55(57)63)50-43-60(72-61(44-50)52-33-20-21-40-62(52)73-72)51-41-42-59-69-53(51)38-22-39-58(69)70-67(48-29-12-4-13-30-48)65(46-25-8-2-9-26-46)66(47-27-10-3-11-28-47)68(71(59)70)49-31-14-5-15-32-49/h1-44H.
What are the key properties of 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene?
2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene has a molecular weight of 941.21 g/mol, XLogP of 20.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene is sourced from PubChem (CID 90209780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).