2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene

C58H36S — CID 58963478

IUPAC2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)s3)c3ccccc23)cc1
InChIInChI=1S/C58H36S/c1-2-16-39(17-3-1)55-47-22-10-12-24-49(47)58(50-25-13-11-23-48(50)55)54-33-32-53(59-54)42-30-31-51-52(36-42)57(44-29-27-38-15-5-7-19-41(38)35-44)46-21-9-8-20-45(46)56(51)43-28-26-37-14-4-6-18-40(37)34-43/h1-36H
InChIKeyCKWOISSARABUFG-UHFFFAOYSA-N
MW764.99 g/mol
LogP17.00
Rot. Bonds5

About 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene (PubChem CID 58963478) has the molecular formula C58H36S and a molecular weight of 764.99 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
PubChem CID58963478
Molecular FormulaC58H36S
Molecular Weight764.99 g/mol
Exact Mass764.25
IUPAC Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)s3)c3ccccc23)cc1
InChIInChI=1S/C58H36S/c1-2-16-39(17-3-1)55-47-22-10-12-24-49(47)58(50-25-13-11-23-48(50)55)54-33-32-53(59-54)42-30-31-51-52(36-42)57(44-29-27-38-15-5-7-19-41(38)35-44)46-21-9-8-20-45(46)56(51)43-28-26-37-14-4-6-18-40(37)34-43/h1-36H
InChIKeyCKWOISSARABUFG-UHFFFAOYSA-N
XLogP17.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.99
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene 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

2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]-3,5-diphenyl-1,2,4-triazole
CID 142701531
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene?
The IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene (CID 58963478) is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene.
What is the SMILES notation for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene?
The canonical SMILES for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)s3)c3ccccc23)cc1.
What is the InChIKey of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene?
The InChIKey is CKWOISSARABUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36S/c1-2-16-39(17-3-1)55-47-22-10-12-24-49(47)58(50-25-13-11-23-48(50)55)54-33-32-53(59-54)42-30-31-51-52(36-42)57(44-29-27-38-15-5-7-19-41(38)35-44)46-21-9-8-20-45(46)56(51)43-28-26-37-14-4-6-18-40(37)34-43/h1-36H.
What are the key properties of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene?
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene has a molecular weight of 764.99 g/mol, XLogP of 17.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene is sourced from PubChem (CID 58963478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).