11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene

C50H32 — CID 123226624

IUPAC11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3c4ccccc4c(-c4cccc5cc6ccc7ccccc7c6cc45)c4ccccc34)c2)cc1
InChIInChI=1S/C50H32/c1-3-14-33(15-4-1)36-28-29-40(34-16-5-2-6-17-34)48(31-36)50-43-23-11-9-21-41(43)49(42-22-10-12-24-44(42)50)45-25-13-19-37-30-38-27-26-35-18-7-8-20-39(35)46(38)32-47(37)45/h1-32H
InChIKeyDMNNUNIRFRMPDD-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene

11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene (PubChem CID 123226624) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene.

Molecular Properties

Compound Name11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
PubChem CID123226624
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3c4ccccc4c(-c4cccc5cc6ccc7ccccc7c6cc45)c4ccccc34)c2)cc1
InChIInChI=1S/C50H32/c1-3-14-33(15-4-1)36-28-29-40(34-16-5-2-6-17-34)48(31-36)50-43-23-11-9-21-41(43)49(42-22-10-12-24-44(42)50)45-25-13-19-37-30-38-27-26-35-18-7-8-20-39(35)46(38)32-47(37)45/h1-32H
InChIKeyDMNNUNIRFRMPDD-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

11-phenylbenzo[a]anthracene
CID 123665695
9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
CID 156677059
8,13-dinaphthalen-1-yl-2,6-diphenylbenzo[a]tetracene
CID 123219692
9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
CID 58194536
9-[7-(2,4-diphenylphenyl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
CID 123233888
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(3-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(7-phenylnaphthalen-1-yl)anthracene
CID 157368107
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
9-(5-naphthalen-2-yl-2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 176775937
9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 158259921

Frequently Asked Questions

What is the IUPAC name of 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene?
The IUPAC name of 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene (CID 123226624) is 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene.
What is the SMILES notation for 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene?
The canonical SMILES for 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene is c1ccc(-c2ccc(-c3ccccc3)c(-c3c4ccccc4c(-c4cccc5cc6ccc7ccccc7c6cc45)c4ccccc34)c2)cc1.
What is the InChIKey of 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene?
The InChIKey is DMNNUNIRFRMPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-14-33(15-4-1)36-28-29-40(34-16-5-2-6-17-34)48(31-36)50-43-23-11-9-21-41(43)49(42-22-10-12-24-44(42)50)45-25-13-19-37-30-38-27-26-35-18-7-8-20-39(35)46(38)32-47(37)45/h1-32H.
What are the key properties of 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene?
11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene is sourced from PubChem (CID 123226624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).