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

C42H26S — CID 58536121

IUPAC4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccccc34)c3ccccc23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C42H26S/c1-2-13-28-26-29(25-24-27(28)12-1)30-14-3-4-16-32(30)40-33-17-5-7-19-35(33)41(36-20-8-6-18-34(36)40)38-22-11-21-37-31-15-9-10-23-39(31)43-42(37)38/h1-26H
InChIKeyHZGQYSPCQAVOND-UHFFFAOYSA-N
MW562.74 g/mol
LogP12.52
Rot. Bonds3

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

4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene (PubChem CID 58536121) has the molecular formula C42H26S and a molecular weight of 562.74 g/mol. Its IUPAC name is 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene.

Molecular Properties

Compound Name4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
PubChem CID58536121
Molecular FormulaC42H26S
Molecular Weight562.74 g/mol
Exact Mass562.18
IUPAC Name4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccccc34)c3ccccc23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C42H26S/c1-2-13-28-26-29(25-24-27(28)12-1)30-14-3-4-16-32(30)40-33-17-5-7-19-35(33)41(36-20-8-6-18-34(36)40)38-22-11-21-37-31-15-9-10-23-39(31)43-42(37)38/h1-26H
InChIKeyHZGQYSPCQAVOND-UHFFFAOYSA-N
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.74
LogP ≤ 512.52
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

4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
CID 174273152
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-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
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole
CID 122425735
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155480695
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
CID 59413088
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481014
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
9-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130186430
4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130186438
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene?
The IUPAC name of 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene (CID 58536121) is 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene.
What is the SMILES notation for 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene?
The canonical SMILES for 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene is c1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccccc34)c3ccccc23)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene?
The InChIKey is HZGQYSPCQAVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26S/c1-2-13-28-26-29(25-24-27(28)12-1)30-14-3-4-16-32(30)40-33-17-5-7-19-35(33)41(36-20-8-6-18-34(36)40)38-22-11-21-37-31-15-9-10-23-39(31)43-42(37)38/h1-26H.
What are the key properties of 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene?
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene has a molecular weight of 562.74 g/mol, XLogP of 12.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 58536121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).