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

C52H32 — CID 59412736

IUPAC7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cccc5c4ccc4c(-c6ccc7ccccc7c6)c6ccccc6cc45)c4ccccc34)ccc2c1
InChIInChI=1S/C52H32/c1-3-14-35-30-38(26-24-33(35)12-1)50-40-17-6-5-16-37(40)32-49-41-22-11-23-43(42(41)28-29-48(49)50)52-46-20-9-7-18-44(46)51(45-19-8-10-21-47(45)52)39-27-25-34-13-2-4-15-36(34)31-39/h1-32H
InChIKeyKBDGUVJKFOJJOW-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

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

7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene (PubChem CID 59412736) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
PubChem CID59412736
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cccc5c4ccc4c(-c6ccc7ccccc7c6)c6ccccc6cc45)c4ccccc34)ccc2c1
InChIInChI=1S/C52H32/c1-3-14-35-30-38(26-24-33(35)12-1)50-40-17-6-5-16-37(40)32-49-41-22-11-23-43(42(41)28-29-48(49)50)52-46-20-9-7-18-44(46)51(45-19-8-10-21-47(45)52)39-27-25-34-13-2-4-15-36(34)31-39/h1-32H
InChIKeyKBDGUVJKFOJJOW-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
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-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-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 59412748
7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 123375049
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
CID 159591675
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene (CID 59412736) is 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene is c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4ccc4c(-c6ccc7ccccc7c6)c6ccccc6cc45)c4ccccc34)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
The InChIKey is KBDGUVJKFOJJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-3-14-35-30-38(26-24-33(35)12-1)50-40-17-6-5-16-37(40)32-49-41-22-11-23-43(42(41)28-29-48(49)50)52-46-20-9-7-18-44(46)51(45-19-8-10-21-47(45)52)39-27-25-34-13-2-4-15-36(34)31-39/h1-32H.
What are the key properties of 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene?
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 59412736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).