4-(9,10-diphenylanthracen-1-yl)dibenzothiophene

C38H24S — CID 58323324

IUPAC4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C38H24S/c1-3-13-25(14-4-1)35-28-18-7-8-19-29(28)36(26-15-5-2-6-16-26)37-30(20-11-23-33(35)37)32-22-12-21-31-27-17-9-10-24-34(27)39-38(31)32/h1-24H
InChIKeyUYPVWQWUTDHAHQ-UHFFFAOYSA-N
MW512.68 g/mol
LogP11.36
Rot. Bonds3

About 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene

4-(9,10-diphenylanthracen-1-yl)dibenzothiophene (PubChem CID 58323324) has the molecular formula C38H24S and a molecular weight of 512.68 g/mol. Its IUPAC name is 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene.

Molecular Properties

Compound Name4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
PubChem CID58323324
Molecular FormulaC38H24S
Molecular Weight512.68 g/mol
Exact Mass512.16
IUPAC Name4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C38H24S/c1-3-13-25(14-4-1)35-28-18-7-8-19-29(28)36(26-15-5-2-6-16-26)37-30(20-11-23-33(35)37)32-22-12-21-31-27-17-9-10-24-34(27)39-38(31)32/h1-24H
InChIKeyUYPVWQWUTDHAHQ-UHFFFAOYSA-N
XLogP11.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.68
LogP ≤ 511.36
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

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-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 58323031
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
4-(7,8,11,12-tetraphenylbenzo[k]fluoranthen-3-yl)dibenzothiophene
CID 90209868
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696
4-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzothiophene
CID 155475534
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4,6-di(dibenzothiophen-4-yl)-2-phenylbenzene-1,3-dicarbonitrile
CID 146354874

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene?
The IUPAC name of 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene (CID 58323324) is 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene.
What is the SMILES notation for 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene?
The canonical SMILES for 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4cccc5c4sc4ccccc45)cccc23)cc1.
What is the InChIKey of 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene?
The InChIKey is UYPVWQWUTDHAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24S/c1-3-13-25(14-4-1)35-28-18-7-8-19-29(28)36(26-15-5-2-6-16-26)37-30(20-11-23-33(35)37)32-22-12-21-31-27-17-9-10-24-34(27)39-38(31)32/h1-24H.
What are the key properties of 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene?
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene has a molecular weight of 512.68 g/mol, XLogP of 11.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-diphenylanthracen-1-yl)dibenzothiophene is sourced from PubChem (CID 58323324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).