4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene

C58H36 — CID 123941772

IUPAC4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4cc5ccc6c(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cccc6c5cc34)c3ccccc23)cc1
InChIInChI=1S/C58H36/c1-3-17-37(18-4-1)55-44-22-7-11-26-48(44)57(49-27-12-8-23-45(49)55)43-32-16-30-41-42(43)34-33-40-35-39-21-15-31-52(54(39)36-53(40)41)58-50-28-13-9-24-46(50)56(38-19-5-2-6-20-38)47-25-10-14-29-51(47)58/h1-36H
InChIKeyPJFMBYOTGKVZAS-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.43
Rot. Bonds4

About 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene

4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene (PubChem CID 123941772) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
PubChem CID123941772
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4cc5ccc6c(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cccc6c5cc34)c3ccccc23)cc1
InChIInChI=1S/C58H36/c1-3-17-37(18-4-1)55-44-22-7-11-26-48(44)57(49-27-12-8-23-45(49)55)43-32-16-30-41-42(43)34-33-40-35-39-21-15-31-52(54(39)36-53(40)41)58-50-28-13-9-24-46(50)56(38-19-5-2-6-20-38)47-25-10-14-29-51(47)58/h1-36H
InChIKeyPJFMBYOTGKVZAS-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 516.43
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-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
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-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
CID 159785765
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123226624
6,6,7,7,8,8-hexamethyl-18-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene
CID 140783333
11-phenylbenzo[a]anthracene
CID 123665695
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613

Frequently Asked Questions

What is the IUPAC name of 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene (CID 123941772) is 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene is c1ccc(-c2c3ccccc3c(-c3cccc4cc5ccc6c(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cccc6c5cc34)c3ccccc23)cc1.
What is the InChIKey of 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene?
The InChIKey is PJFMBYOTGKVZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-3-17-37(18-4-1)55-44-22-7-11-26-48(44)57(49-27-12-8-23-45(49)55)43-32-16-30-41-42(43)34-33-40-35-39-21-15-31-52(54(39)36-53(40)41)58-50-28-13-9-24-46(50)56(38-19-5-2-6-20-38)47-25-10-14-29-51(47)58/h1-36H.
What are the key properties of 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene?
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene has a molecular weight of 732.93 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 123941772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).