2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene

C70H44S2 — CID 58963498

IUPAC2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)s6)cc5)c5cc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)ccc45)cc3)s2)cc1
InChIInChI=1S/C70H44S2/c1-3-16-46(17-4-1)63-39-41-65(71-63)48-28-32-50(33-29-48)67-55-21-9-10-22-56(55)68(51-34-30-49(31-35-51)66-42-40-64(72-66)47-18-5-2-6-19-47)62-44-54(37-38-61(62)67)70-59-25-13-11-23-57(59)69(58-24-12-14-26-60(58)70)53-36-27-45-15-7-8-20-52(45)43-53/h1-44H
InChIKeyPGASZSJWQRJLJZ-UHFFFAOYSA-N
MW949.26 g/mol
LogP20.91
Rot. Bonds8

About 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene

2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene (PubChem CID 58963498) has the molecular formula C70H44S2 and a molecular weight of 949.26 g/mol. Its IUPAC name is 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene.

Molecular Properties

Compound Name2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
PubChem CID58963498
Molecular FormulaC70H44S2
Molecular Weight949.26 g/mol
Exact Mass948.29
IUPAC Name2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)s6)cc5)c5cc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)ccc45)cc3)s2)cc1
InChIInChI=1S/C70H44S2/c1-3-16-46(17-4-1)63-39-41-65(71-63)48-28-32-50(33-29-48)67-55-21-9-10-22-56(55)68(51-34-30-49(31-35-51)66-42-40-64(72-66)47-18-5-2-6-19-47)62-44-54(37-38-61(62)67)70-59-25-13-11-23-57(59)69(58-24-12-14-26-60(58)70)53-36-27-45-15-7-8-20-52(45)43-53/h1-44H
InChIKeyPGASZSJWQRJLJZ-UHFFFAOYSA-N
XLogP20.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.26
LogP ≤ 520.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
CID 58963478
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-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
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-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
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
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene?
The IUPAC name of 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene (CID 58963498) is 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene.
What is the SMILES notation for 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene?
The canonical SMILES for 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)s6)cc5)c5cc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)ccc45)cc3)s2)cc1.
What is the InChIKey of 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene?
The InChIKey is PGASZSJWQRJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44S2/c1-3-16-46(17-4-1)63-39-41-65(71-63)48-28-32-50(33-29-48)67-55-21-9-10-22-56(55)68(51-34-30-49(31-35-51)66-42-40-64(72-66)47-18-5-2-6-19-47)62-44-54(37-38-61(62)67)70-59-25-13-11-23-57(59)69(58-24-12-14-26-60(58)70)53-36-27-45-15-7-8-20-52(45)43-53/h1-44H.
What are the key properties of 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene?
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene has a molecular weight of 949.26 g/mol, XLogP of 20.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene is sourced from PubChem (CID 58963498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).