5,11-bis(4-pentylphenyl)tetracene

C40H40 — CID 132571362

IUPAC5,11-bis(4-pentylphenyl)tetracene
SMILESCCCCCc1ccc(-c2c3ccccc3cc3c(-c4ccc(CCCCC)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C40H40/c1-3-5-7-13-29-19-23-31(24-20-29)39-35-17-11-9-15-33(35)28-38-37(39)27-34-16-10-12-18-36(34)40(38)32-25-21-30(22-26-32)14-8-6-4-2/h9-12,15-28H,3-8,13-14H2,1-2H3
InChIKeyKDMUZZCYJXHMSR-UHFFFAOYSA-N
MW520.76 g/mol
LogP11.95
Rot. Bonds10

About 5,11-bis(4-pentylphenyl)tetracene

5,11-bis(4-pentylphenyl)tetracene (PubChem CID 132571362) has the molecular formula C40H40 and a molecular weight of 520.76 g/mol. Its IUPAC name is 5,11-bis(4-pentylphenyl)tetracene.

Molecular Properties

Compound Name5,11-bis(4-pentylphenyl)tetracene
PubChem CID132571362
Molecular FormulaC40H40
Molecular Weight520.76 g/mol
Exact Mass520.31
IUPAC Name5,11-bis(4-pentylphenyl)tetracene
SMILESCCCCCc1ccc(-c2c3ccccc3cc3c(-c4ccc(CCCCC)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C40H40/c1-3-5-7-13-29-19-23-31(24-20-29)39-35-17-11-9-15-33(35)28-38-37(39)27-34-16-10-12-18-36(34)40(38)32-25-21-30(22-26-32)14-8-6-4-2/h9-12,15-28H,3-8,13-14H2,1-2H3
InChIKeyKDMUZZCYJXHMSR-UHFFFAOYSA-N
XLogP11.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-6,13-bis(4-pentylphenyl)pentacene
CID 140513754
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
9-naphthalen-2-yl-2-octylanthracene
CID 174689718
4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol
CID 153328373
9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
CID 59101775
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-pentadecyl-4-phenylbenzene
CID 57166115
1-ethenyl-2-(4-pentylphenyl)tetracene
CID 173173804
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
12,26-bis(4-decylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 86703822
4-(4-anthracen-9-ylphenyl)butane-2-thiol
CID 57300743

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(4-pentylphenyl)tetracene?
The IUPAC name of 5,11-bis(4-pentylphenyl)tetracene (CID 132571362) is 5,11-bis(4-pentylphenyl)tetracene.
What is the SMILES notation for 5,11-bis(4-pentylphenyl)tetracene?
The canonical SMILES for 5,11-bis(4-pentylphenyl)tetracene is CCCCCc1ccc(-c2c3ccccc3cc3c(-c4ccc(CCCCC)cc4)c4ccccc4cc23)cc1.
What is the InChIKey of 5,11-bis(4-pentylphenyl)tetracene?
The InChIKey is KDMUZZCYJXHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40/c1-3-5-7-13-29-19-23-31(24-20-29)39-35-17-11-9-15-33(35)28-38-37(39)27-34-16-10-12-18-36(34)40(38)32-25-21-30(22-26-32)14-8-6-4-2/h9-12,15-28H,3-8,13-14H2,1-2H3.
What are the key properties of 5,11-bis(4-pentylphenyl)tetracene?
5,11-bis(4-pentylphenyl)tetracene has a molecular weight of 520.76 g/mol, XLogP of 11.95, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(4-pentylphenyl)tetracene is sourced from PubChem (CID 132571362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).