7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene

C84H50 — CID 59412748

IUPAC7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4ccc4c(-c6cccc7c6ccc6c(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)c8ccccc8cc67)cccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C84H50/c1-3-21-53-47-57(41-39-51(53)19-1)79-67-27-9-13-31-71(67)83(72-32-14-10-28-68(72)79)81-59-25-7-5-23-55(59)49-77-63-37-17-35-61(65(63)43-45-75(77)81)62-36-18-38-64-66(62)44-46-76-78(64)50-56-24-6-8-26-60(56)82(76)84-73-33-15-11-29-69(73)80(70-30-12-16-34-74(70)84)58-42-40-52-20-2-4-22-54(52)48-58/h1-50H
InChIKeySZNUVHURRBYYMV-UHFFFAOYSA-N
MW1059.32 g/mol
LogP23.86
Rot. Bonds5

About 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene

7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene (PubChem CID 59412748) has the molecular formula C84H50 and a molecular weight of 1059.32 g/mol. Its IUPAC name is 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene.

Molecular Properties

Compound Name7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
PubChem CID59412748
Molecular FormulaC84H50
Molecular Weight1059.32 g/mol
Exact Mass1058.39
IUPAC Name7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4ccc4c(-c6cccc7c6ccc6c(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)c8ccccc8cc67)cccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C84H50/c1-3-21-53-47-57(41-39-51(53)19-1)79-67-27-9-13-31-71(67)83(72-32-14-10-28-68(72)79)81-59-25-7-5-23-55(59)49-77-63-37-17-35-61(65(63)43-45-75(77)81)62-36-18-38-64-66(62)44-46-76-78(64)50-56-24-6-8-26-60(56)82(76)84-73-33-15-11-29-69(73)80(70-30-12-16-34-74(70)84)58-42-40-52-20-2-4-22-54(52)48-58/h1-50H
InChIKeySZNUVHURRBYYMV-UHFFFAOYSA-N
XLogP23.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.32
LogP ≤ 523.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412700
7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 123375049
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2,9-dinaphthalen-2-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 58322851
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009

Frequently Asked Questions

What is the IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene?
The IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene (CID 59412748) is 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene.
What is the SMILES notation for 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene?
The canonical SMILES for 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene is c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4ccc4c(-c6cccc7c6ccc6c(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)c8ccccc8cc67)cccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene?
The InChIKey is SZNUVHURRBYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50/c1-3-21-53-47-57(41-39-51(53)19-1)79-67-27-9-13-31-71(67)83(72-32-14-10-28-68(72)79)81-59-25-7-5-23-55(59)49-77-63-37-17-35-61(65(63)43-45-75(77)81)62-36-18-38-64-66(62)44-46-76-78(64)50-56-24-6-8-26-60(56)82(76)84-73-33-15-11-29-69(73)80(70-30-12-16-34-74(70)84)58-42-40-52-20-2-4-22-54(52)48-58/h1-50H.
What are the key properties of 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene?
7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene has a molecular weight of 1059.32 g/mol, XLogP of 23.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene is sourced from PubChem (CID 59412748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).