4-(10-phenylanthracen-9-yl)benzo[a]anthracene

C38H24 — CID 59412708

IUPAC4-(10-phenylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3cc5ccccc5cc34)c3ccccc23)cc1
InChIInChI=1S/C38H24/c1-2-11-25(12-3-1)37-32-15-6-8-17-34(32)38(35-18-9-7-16-33(35)37)31-20-10-19-29-30(31)22-21-28-23-26-13-4-5-14-27(26)24-36(28)29/h1-24H
InChIKeyOPNJNJHUXOERHJ-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.79
Rot. Bonds2

About 4-(10-phenylanthracen-9-yl)benzo[a]anthracene

4-(10-phenylanthracen-9-yl)benzo[a]anthracene (PubChem CID 59412708) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-(10-phenylanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name4-(10-phenylanthracen-9-yl)benzo[a]anthracene
PubChem CID59412708
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name4-(10-phenylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3cc5ccccc5cc34)c3ccccc23)cc1
InChIInChI=1S/C38H24/c1-2-11-25(12-3-1)37-32-15-6-8-17-34(32)38(35-18-9-7-16-33(35)37)31-20-10-19-29-30(31)22-21-28-23-26-13-4-5-14-27(26)24-36(28)29/h1-24H
InChIKeyOPNJNJHUXOERHJ-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 510.79
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

4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 123540167
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)benzo[a]anthracene;4-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)benzo[a]anthracene;4-[9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene;4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 162211913
4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
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
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
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-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736

Frequently Asked Questions

What is the IUPAC name of 4-(10-phenylanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 4-(10-phenylanthracen-9-yl)benzo[a]anthracene (CID 59412708) is 4-(10-phenylanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 4-(10-phenylanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 4-(10-phenylanthracen-9-yl)benzo[a]anthracene is c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3cc5ccccc5cc34)c3ccccc23)cc1.
What is the InChIKey of 4-(10-phenylanthracen-9-yl)benzo[a]anthracene?
The InChIKey is OPNJNJHUXOERHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-2-11-25(12-3-1)37-32-15-6-8-17-34(32)38(35-18-9-7-16-33(35)37)31-20-10-19-29-30(31)22-21-28-23-26-13-4-5-14-27(26)24-36(28)29/h1-24H.
What are the key properties of 4-(10-phenylanthracen-9-yl)benzo[a]anthracene?
4-(10-phenylanthracen-9-yl)benzo[a]anthracene has a molecular weight of 480.61 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-phenylanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 59412708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).