1-tetracen-5-yltetracene

C36H22 — CID 91610936

IUPAC1-tetracen-5-yltetracene
SMILESc1ccc2cc3cc4c(-c5c6ccccc6cc6cc7ccccc7cc56)cccc4cc3cc2c1
InChIInChI=1S/C36H22/c1-2-9-24-17-30-22-34-28(19-29(30)16-23(24)8-1)13-7-15-33(34)36-32-14-6-5-12-27(32)20-31-18-25-10-3-4-11-26(25)21-35(31)36/h1-22H
InChIKeyYRDFGGVAKMPBFD-UHFFFAOYSA-N
MW454.57 g/mol
LogP10.27
Rot. Bonds1

About 1-tetracen-5-yltetracene

1-tetracen-5-yltetracene (PubChem CID 91610936) has the molecular formula C36H22 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-tetracen-5-yltetracene.

Molecular Properties

Compound Name1-tetracen-5-yltetracene
PubChem CID91610936
Molecular FormulaC36H22
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC Name1-tetracen-5-yltetracene
SMILESc1ccc2cc3cc4c(-c5c6ccccc6cc6cc7ccccc7cc56)cccc4cc3cc2c1
InChIInChI=1S/C36H22/c1-2-9-24-17-30-22-34-28(19-29(30)16-23(24)8-1)13-7-15-33(34)36-32-14-6-5-12-27(32)20-31-18-25-10-3-4-11-26(25)21-35(31)36/h1-22H
InChIKeyYRDFGGVAKMPBFD-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 510.27
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

9,10-di(anthracen-1-yl)anthracene
CID 58645093
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
1-anthracen-1-ylanthracene-2,3-diol
CID 140777781
1-(2,6-dimethylphenyl)pentacene
CID 163989342
1,10-dinaphthalen-1-ylanthracene
CID 58645117
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
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
heptacyclo[14.11.1.02,7.08,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 631772
1-(2,4,6-tritert-butylphenyl)pentacene
CID 141153745
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
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
3,14-di(tetracen-5-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
CID 58479814

Frequently Asked Questions

What is the IUPAC name of 1-tetracen-5-yltetracene?
The IUPAC name of 1-tetracen-5-yltetracene (CID 91610936) is 1-tetracen-5-yltetracene.
What is the SMILES notation for 1-tetracen-5-yltetracene?
The canonical SMILES for 1-tetracen-5-yltetracene is c1ccc2cc3cc4c(-c5c6ccccc6cc6cc7ccccc7cc56)cccc4cc3cc2c1.
What is the InChIKey of 1-tetracen-5-yltetracene?
The InChIKey is YRDFGGVAKMPBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22/c1-2-9-24-17-30-22-34-28(19-29(30)16-23(24)8-1)13-7-15-33(34)36-32-14-6-5-12-27(32)20-31-18-25-10-3-4-11-26(25)21-35(31)36/h1-22H.
What are the key properties of 1-tetracen-5-yltetracene?
1-tetracen-5-yltetracene has a molecular weight of 454.57 g/mol, XLogP of 10.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracen-5-yltetracene is sourced from PubChem (CID 91610936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).