6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene

C24H24 — CID 166440831

IUPAC6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene
SMILESC1=CC2CC3Cc4ccccc4C(c4ccccc4)C3CC2C=C1
InChIInChI=1S/C24H24/c1-2-8-17(9-3-1)24-22-13-7-6-12-20(22)15-21-14-18-10-4-5-11-19(18)16-23(21)24/h1-13,18-19,21,23-24H,14-16H2
InChIKeyKTVXEFLIFWOYSG-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.76
Rot. Bonds1

About 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene

6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene (PubChem CID 166440831) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene.

Molecular Properties

Compound Name6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene
PubChem CID166440831
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene
SMILESC1=CC2CC3Cc4ccccc4C(c4ccccc4)C3CC2C=C1
InChIInChI=1S/C24H24/c1-2-8-17(9-3-1)24-22-13-7-6-12-20(22)15-21-14-18-10-4-5-11-19(18)16-23(21)24/h1-13,18-19,21,23-24H,14-16H2
InChIKeyKTVXEFLIFWOYSG-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 11101515
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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene?
The IUPAC name of 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene (CID 166440831) is 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene.
What is the SMILES notation for 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene?
The canonical SMILES for 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene is C1=CC2CC3Cc4ccccc4C(c4ccccc4)C3CC2C=C1.
What is the InChIKey of 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene?
The InChIKey is KTVXEFLIFWOYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-2-8-17(9-3-1)24-22-13-7-6-12-20(22)15-21-14-18-10-4-5-11-19(18)16-23(21)24/h1-13,18-19,21,23-24H,14-16H2.
What are the key properties of 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene?
6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene has a molecular weight of 312.46 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4a,5,5a,6,11,11a,12,12a-octahydrotetracene is sourced from PubChem (CID 166440831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).