4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene

C48H30S — CID 174273152

IUPAC4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)c1
InChIInChI=1S/C48H30S/c1-2-13-34-30-35(29-24-31(34)12-1)37-15-4-3-14-36(37)32-25-27-33(28-26-32)46-39-17-5-7-19-41(39)47(42-20-8-6-18-40(42)46)44-22-11-21-43-38-16-9-10-23-45(38)49-48(43)44/h1-30H
InChIKeyKGZIYCSGTNIDSS-UHFFFAOYSA-N
MW638.84 g/mol
LogP14.18
Rot. Bonds4

About 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene

4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene (PubChem CID 174273152) has the molecular formula C48H30S and a molecular weight of 638.84 g/mol. Its IUPAC name is 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene.

Molecular Properties

Compound Name4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
PubChem CID174273152
Molecular FormulaC48H30S
Molecular Weight638.84 g/mol
Exact Mass638.21
IUPAC Name4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)c1
InChIInChI=1S/C48H30S/c1-2-13-34-30-35(29-24-31(34)12-1)37-15-4-3-14-36(37)32-25-27-33(28-26-32)46-39-17-5-7-19-41(39)47(42-20-8-6-18-40(42)46)44-22-11-21-43-38-16-9-10-23-45(38)49-48(43)44/h1-30H
InChIKeyKGZIYCSGTNIDSS-UHFFFAOYSA-N
XLogP14.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.84
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 58536121
4-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 161060928
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene
CID 160745128
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 159764501
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
CID 59413088
2-dibenzothiophen-4-yl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442140
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole
CID 122425735
2-dibenzothiophen-4-yl-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[7-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 159934634
2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzothiophene;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158521382
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;1-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 165021765
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155480695
4-[10-[4-(2-fluoranthen-3-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 174273580

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene?
The IUPAC name of 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene (CID 174273152) is 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene.
What is the SMILES notation for 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene?
The canonical SMILES for 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene is c1ccc(-c2ccc3ccccc3c2)c(-c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)c1.
What is the InChIKey of 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene?
The InChIKey is KGZIYCSGTNIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S/c1-2-13-34-30-35(29-24-31(34)12-1)37-15-4-3-14-36(37)32-25-27-33(28-26-32)46-39-17-5-7-19-41(39)47(42-20-8-6-18-40(42)46)44-22-11-21-43-38-16-9-10-23-45(38)49-48(43)44/h1-30H.
What are the key properties of 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene?
4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene has a molecular weight of 638.84 g/mol, XLogP of 14.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 174273152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).