(4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol

C24H16O2 — CID 11151846

IUPAC(4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol
SMILESOc1cccc2/c1=c1/c(O)ccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C24H16O2/c25-21-13-5-11-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20-12-6-14-22(26)24(20)23(19)21/h1-14,25-26H/b16-15-,19-17-,20-18-,24-23-
InChIKeyTWSJLMGJCDXAFC-VQEJRNSZSA-N
MW336.39 g/mol
LogP4.56
Rot. Bonds

About (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol

(4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol (PubChem CID 11151846) has the molecular formula C24H16O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol
PubChem CID11151846
Molecular FormulaC24H16O2
Molecular Weight336.39 g/mol
Exact Mass336.12
IUPAC Name(4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol
SMILESOc1cccc2/c1=c1/c(O)ccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C24H16O2/c25-21-13-5-11-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20-12-6-14-22(26)24(20)23(19)21/h1-14,25-26H/b16-15-,19-17-,20-18-,24-23-
InChIKeyTWSJLMGJCDXAFC-VQEJRNSZSA-N
XLogP4.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol?
The IUPAC name of (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol (CID 11151846) is (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol?
The canonical SMILES for (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol is Oc1cccc2/c1=c1/c(O)ccc/c1=c1\cccc\c1=c1/cccc/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol?
The InChIKey is TWSJLMGJCDXAFC-VQEJRNSZSA-N. The full InChI is InChI=1S/C24H16O2/c25-21-13-5-11-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20-12-6-14-22(26)24(20)23(19)21/h1-14,25-26H/b16-15-,19-17-,20-18-,24-23-.
What are the key properties of (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol?
(4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol has a molecular weight of 336.39 g/mol, XLogP of 4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aZ,12aZ,16aZ)-tetraphenylene-1,16-diol is sourced from PubChem (CID 11151846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).