9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene

C70H44 — CID 172546716

IUPAC9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)cc7c6)cc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C70H44/c1-2-15-49(16-3-1)67-59-18-6-8-20-61(59)68(62-21-9-7-19-60(62)67)50-33-26-46(27-34-50)52-35-28-47-29-36-53(42-57(47)41-52)54-37-30-48-32-39-56(44-58(48)43-54)70-65-24-12-10-22-63(65)69(64-23-11-13-25-66(64)70)55-38-31-45-14-4-5-17-51(45)40-55/h1-44H
InChIKeyXIOGDKRREPLQIA-UHFFFAOYSA-N
MW885.12 g/mol
LogP19.76
Rot. Bonds6

About 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene

9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene (PubChem CID 172546716) has the molecular formula C70H44 and a molecular weight of 885.12 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
PubChem CID172546716
Molecular FormulaC70H44
Molecular Weight885.12 g/mol
Exact Mass884.34
IUPAC Name9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)cc7c6)cc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C70H44/c1-2-15-49(16-3-1)67-59-18-6-8-20-61(59)68(62-21-9-7-19-60(62)67)50-33-26-46(27-34-50)52-35-28-47-29-36-53(42-57(47)41-52)54-37-30-48-32-39-56(44-58(48)43-54)70-65-24-12-10-22-63(65)69(64-23-11-13-25-66(64)70)55-38-31-45-14-4-5-17-51(45)40-55/h1-44H
InChIKeyXIOGDKRREPLQIA-UHFFFAOYSA-N
XLogP19.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.12
LogP ≤ 519.76
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-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
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-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene (CID 172546716) is 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)cc7c6)cc5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene?
The InChIKey is XIOGDKRREPLQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44/c1-2-15-49(16-3-1)67-59-18-6-8-20-61(59)68(62-21-9-7-19-60(62)67)50-33-26-46(27-34-50)52-35-28-47-29-36-53(42-57(47)41-52)54-37-30-48-32-39-56(44-58(48)43-54)70-65-24-12-10-22-63(65)69(64-23-11-13-25-66(64)70)55-38-31-45-14-4-5-17-51(45)40-55/h1-44H.
What are the key properties of 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene?
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene has a molecular weight of 885.12 g/mol, XLogP of 19.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 172546716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).