9,10-di(anthracen-1-yl)anthracene

C42H26 — CID 58645093

IUPAC9,10-di(anthracen-1-yl)anthracene
SMILESc1ccc2cc3c(-c4c5ccccc5c(-c5cccc6cc7ccccc7cc56)c5ccccc45)cccc3cc2c1
InChIInChI=1S/C42H26/c1-3-13-29-25-39-31(23-27(29)11-1)15-9-21-37(39)41-33-17-5-7-19-35(33)42(36-20-8-6-18-34(36)41)38-22-10-16-32-24-28-12-2-4-14-30(28)26-40(32)38/h1-26H
InChIKeySBWSXEFBQGWEPI-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.94
Rot. Bonds2

About 9,10-di(anthracen-1-yl)anthracene

9,10-di(anthracen-1-yl)anthracene (PubChem CID 58645093) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 9,10-di(anthracen-1-yl)anthracene.

Molecular Properties

Compound Name9,10-di(anthracen-1-yl)anthracene
PubChem CID58645093
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name9,10-di(anthracen-1-yl)anthracene
SMILESc1ccc2cc3c(-c4c5ccccc5c(-c5cccc6cc7ccccc7cc56)c5ccccc45)cccc3cc2c1
InChIInChI=1S/C42H26/c1-3-13-29-25-39-31(23-27(29)11-1)15-9-21-37(39)41-33-17-5-7-19-35(33)42(36-20-8-6-18-34(36)41)38-22-10-16-32-24-28-12-2-4-14-30(28)26-40(32)38/h1-26H
InChIKeySBWSXEFBQGWEPI-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tetracen-5-yltetracene
CID 91610936
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
1,10-dinaphthalen-1-ylanthracene
CID 58645117
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
1-(2,6-dimethylphenyl)pentacene
CID 163989342
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
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
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772

Frequently Asked Questions

What is the IUPAC name of 9,10-di(anthracen-1-yl)anthracene?
The IUPAC name of 9,10-di(anthracen-1-yl)anthracene (CID 58645093) is 9,10-di(anthracen-1-yl)anthracene.
What is the SMILES notation for 9,10-di(anthracen-1-yl)anthracene?
The canonical SMILES for 9,10-di(anthracen-1-yl)anthracene is c1ccc2cc3c(-c4c5ccccc5c(-c5cccc6cc7ccccc7cc56)c5ccccc45)cccc3cc2c1.
What is the InChIKey of 9,10-di(anthracen-1-yl)anthracene?
The InChIKey is SBWSXEFBQGWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-3-13-29-25-39-31(23-27(29)11-1)15-9-21-37(39)41-33-17-5-7-19-35(33)42(36-20-8-6-18-34(36)41)38-22-10-16-32-24-28-12-2-4-14-30(28)26-40(32)38/h1-26H.
What are the key properties of 9,10-di(anthracen-1-yl)anthracene?
9,10-di(anthracen-1-yl)anthracene has a molecular weight of 530.67 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-di(anthracen-1-yl)anthracene is sourced from PubChem (CID 58645093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).