9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene

C66H44 — CID 58965758

IUPAC9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C66H44/c1-3-15-45(16-4-1)53-21-13-23-55(39-53)48-29-33-50(34-30-48)58-42-59(51-35-31-49(32-36-51)56-24-14-22-54(40-56)46-17-5-2-6-18-46)44-60(43-58)66-63-27-11-9-25-61(63)65(62-26-10-12-28-64(62)66)57-38-37-47-19-7-8-20-52(47)41-57/h1-44H
InChIKeyFZZJQCYHCPQHAR-UHFFFAOYSA-N
MW837.08 g/mol
LogP18.48
Rot. Bonds8

About 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene

9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 58965758) has the molecular formula C66H44 and a molecular weight of 837.08 g/mol. Its IUPAC name is 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
PubChem CID58965758
Molecular FormulaC66H44
Molecular Weight837.08 g/mol
Exact Mass836.34
IUPAC Name9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C66H44/c1-3-15-45(16-4-1)53-21-13-23-55(39-53)48-29-33-50(34-30-48)58-42-59(51-35-31-49(32-36-51)56-24-14-22-54(40-56)46-17-5-2-6-18-46)44-60(43-58)66-63-27-11-9-25-61(63)65(62-26-10-12-28-64(62)66)57-38-37-47-19-7-8-20-52(47)41-57/h1-44H
InChIKeyFZZJQCYHCPQHAR-UHFFFAOYSA-N
XLogP18.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.08
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene (CID 58965758) is 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene is c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c4)cc3)c2)cc1.
What is the InChIKey of 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is FZZJQCYHCPQHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44/c1-3-15-45(16-4-1)53-21-13-23-55(39-53)48-29-33-50(34-30-48)58-42-59(51-35-31-49(32-36-51)56-24-14-22-54(40-56)46-17-5-2-6-18-46)44-60(43-58)66-63-27-11-9-25-61(63)65(62-26-10-12-28-64(62)66)57-38-37-47-19-7-8-20-52(47)41-57/h1-44H.
What are the key properties of 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 837.08 g/mol, XLogP of 18.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 58965758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).