1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene

C28H26 — CID 54541900

IUPAC1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene
SMILESc1ccc2cc3c(cc2c1)CCC(C1CCCc2cc4ccccc4cc21)C3
InChIInChI=1S/C28H26/c1-2-8-21-16-26-17-25(13-12-23(26)14-19(21)6-1)27-11-5-10-24-15-20-7-3-4-9-22(20)18-28(24)27/h1-4,6-9,14-16,18,25,27H,5,10-13,17H2
InChIKeyFDUHGWJPYKLMPW-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.22
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene

1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene (PubChem CID 54541900) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene
PubChem CID54541900
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene
SMILESc1ccc2cc3c(cc2c1)CCC(C1CCCc2cc4ccccc4cc21)C3
InChIInChI=1S/C28H26/c1-2-8-21-16-26-17-25(13-12-23(26)14-19(21)6-1)27-11-5-10-24-15-20-7-3-4-9-22(20)18-28(24)27/h1-4,6-9,14-16,18,25,27H,5,10-13,17H2
InChIKeyFDUHGWJPYKLMPW-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene?
The IUPAC name of 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene (CID 54541900) is 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene?
The canonical SMILES for 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene is c1ccc2cc3c(cc2c1)CCC(C1CCCc2cc4ccccc4cc21)C3.
What is the InChIKey of 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene?
The InChIKey is FDUHGWJPYKLMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-2-8-21-16-26-17-25(13-12-23(26)14-19(21)6-1)27-11-5-10-24-15-20-7-3-4-9-22(20)18-28(24)27/h1-4,6-9,14-16,18,25,27H,5,10-13,17H2.
What are the key properties of 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene?
1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene has a molecular weight of 362.52 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroanthracen-2-yl)-1,2,3,4-tetrahydroanthracene is sourced from PubChem (CID 54541900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).