9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene

C66H42 — CID 59557524

IUPAC9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc67)cc5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C66H42/c1-3-19-51-43(15-1)17-13-29-53(51)45-31-35-47(36-32-45)63-55-21-5-9-25-59(55)65(60-26-10-6-22-56(60)63)49-39-41-50(42-40-49)66-61-27-11-7-23-57(61)64(58-24-8-12-28-62(58)66)48-37-33-46(34-38-48)54-30-14-18-44-16-2-4-20-52(44)54/h1-42H
InChIKeyGSCUATOANRGHOP-UHFFFAOYSA-N
MW835.06 g/mol
LogP18.61
Rot. Bonds6

About 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene

9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene (PubChem CID 59557524) has the molecular formula C66H42 and a molecular weight of 835.06 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
PubChem CID59557524
Molecular FormulaC66H42
Molecular Weight835.06 g/mol
Exact Mass834.33
IUPAC Name9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc67)cc5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C66H42/c1-3-19-51-43(15-1)17-13-29-53(51)45-31-35-47(36-32-45)63-55-21-5-9-25-59(55)65(60-26-10-6-22-56(60)63)49-39-41-50(42-40-49)66-61-27-11-7-23-57(61)64(58-24-8-12-28-62(58)66)48-37-33-46(34-38-48)54-30-14-18-44-16-2-4-20-52(44)54/h1-42H
InChIKeyGSCUATOANRGHOP-UHFFFAOYSA-N
XLogP18.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 518.61
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-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene?
The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene (CID 59557524) is 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene.
What is the SMILES notation for 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene?
The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene is c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc67)cc5)c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene?
The InChIKey is GSCUATOANRGHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42/c1-3-19-51-43(15-1)17-13-29-53(51)45-31-35-47(36-32-45)63-55-21-5-9-25-59(55)65(60-26-10-6-22-56(60)63)49-39-41-50(42-40-49)66-61-27-11-7-23-57(61)64(58-24-8-12-28-62(58)66)48-37-33-46(34-38-48)54-30-14-18-44-16-2-4-20-52(44)54/h1-42H.
What are the key properties of 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene?
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene has a molecular weight of 835.06 g/mol, XLogP of 18.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene is sourced from PubChem (CID 59557524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).