5,8,13,14-tetrahydropentaphene

C22H18 — CID 161368209

IUPAC5,8,13,14-tetrahydropentaphene
SMILESc1ccc2c(c1)Cc1ccc3c(c1C2)Cc1ccccc1C3
InChIInChI=1S/C22H18/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)21/h1-10H,11-14H2
InChIKeyPMNCKKDQQVVIOX-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.68
Rot. Bonds

About 5,8,13,14-tetrahydropentaphene

5,8,13,14-tetrahydropentaphene (PubChem CID 161368209) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5,8,13,14-tetrahydropentaphene.

Molecular Properties

Compound Name5,8,13,14-tetrahydropentaphene
PubChem CID161368209
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name5,8,13,14-tetrahydropentaphene
SMILESc1ccc2c(c1)Cc1ccc3c(c1C2)Cc1ccccc1C3
InChIInChI=1S/C22H18/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)21/h1-10H,11-14H2
InChIKeyPMNCKKDQQVVIOX-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
9,10-dihydroanthracene;methanamine
CID 123513741
2-methyl-7,12-dihydrobenzo[a]anthracene
CID 23624934
9,10-dihydroanthracene-1-carboxylic acid
CID 22643690
2-pyridin-4-yl-1,3,6,11-tetrahydronaphtho[2,3-e]isoindol-2-ium-3-ide
CID 159925465
1-(4-bromophenyl)-9,10-dihydroanthracene
CID 57007724
bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 173262949
bicyclo[4.1.0]hepta-1,3,5-triene;furan
CID 174888832
15-aza-23-azoniahexacyclo[12.10.0.02,11.04,9.015,23.016,21]tetracosa-1(14),2(11),4,6,8,12,16,18,20,22-decaene
CID 159828487
dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate
CID 102522835
3-pyridin-3-yl-1,2,6,11-tetrahydronaphtho[2,3-e]indole
CID 159925470

Frequently Asked Questions

What is the IUPAC name of 5,8,13,14-tetrahydropentaphene?
The IUPAC name of 5,8,13,14-tetrahydropentaphene (CID 161368209) is 5,8,13,14-tetrahydropentaphene.
What is the SMILES notation for 5,8,13,14-tetrahydropentaphene?
The canonical SMILES for 5,8,13,14-tetrahydropentaphene is c1ccc2c(c1)Cc1ccc3c(c1C2)Cc1ccccc1C3.
What is the InChIKey of 5,8,13,14-tetrahydropentaphene?
The InChIKey is PMNCKKDQQVVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)21/h1-10H,11-14H2.
What are the key properties of 5,8,13,14-tetrahydropentaphene?
5,8,13,14-tetrahydropentaphene has a molecular weight of 282.39 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,13,14-tetrahydropentaphene is sourced from PubChem (CID 161368209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).