4a,4b-dihydrotriphenylene

C18H14 — CID 123475523

IUPAC4a,4b-dihydrotriphenylene
SMILESC1=CC2=c3ccccc3=C3C=CC=CC3C2C=C1
InChIInChI=1S/C18H14/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-13,15H
InChIKeyXPWNIGXDLGAIEB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds

About 4a,4b-dihydrotriphenylene

4a,4b-dihydrotriphenylene (PubChem CID 123475523) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4a,4b-dihydrotriphenylene.

Molecular Properties

Compound Name4a,4b-dihydrotriphenylene
PubChem CID123475523
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name4a,4b-dihydrotriphenylene
SMILESC1=CC2=c3ccccc3=C3C=CC=CC3C2C=C1
InChIInChI=1S/C18H14/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-13,15H
InChIKeyXPWNIGXDLGAIEB-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4a,4b-dihydrotriphenylene?
The IUPAC name of 4a,4b-dihydrotriphenylene (CID 123475523) is 4a,4b-dihydrotriphenylene.
What is the SMILES notation for 4a,4b-dihydrotriphenylene?
The canonical SMILES for 4a,4b-dihydrotriphenylene is C1=CC2=c3ccccc3=C3C=CC=CC3C2C=C1.
What is the InChIKey of 4a,4b-dihydrotriphenylene?
The InChIKey is XPWNIGXDLGAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-13,15H.
What are the key properties of 4a,4b-dihydrotriphenylene?
4a,4b-dihydrotriphenylene has a molecular weight of 230.31 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,4b-dihydrotriphenylene is sourced from PubChem (CID 123475523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).