3-chloro-5,12,12-triphenyltetracen-5-ol

C36H25ClO — CID 163521956

IUPAC3-chloro-5,12,12-triphenyltetracen-5-ol
SMILESOC1(c2ccccc2)c2cc(Cl)ccc2C(c2ccccc2)(c2ccccc2)c2cc3ccccc3cc21
InChIInChI=1S/C36H25ClO/c37-30-20-21-31-34(24-30)36(38,29-18-8-3-9-19-29)33-23-26-13-11-10-12-25(26)22-32(33)35(31,27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-24,38H
InChIKeyDLOQMDCYIMXCPE-UHFFFAOYSA-N
MW509.05 g/mol
LogP8.47
Rot. Bonds3

About 3-chloro-5,12,12-triphenyltetracen-5-ol

3-chloro-5,12,12-triphenyltetracen-5-ol (PubChem CID 163521956) has the molecular formula C36H25ClO and a molecular weight of 509.05 g/mol. Its IUPAC name is 3-chloro-5,12,12-triphenyltetracen-5-ol.

Molecular Properties

Compound Name3-chloro-5,12,12-triphenyltetracen-5-ol
PubChem CID163521956
Molecular FormulaC36H25ClO
Molecular Weight509.05 g/mol
Exact Mass508.16
IUPAC Name3-chloro-5,12,12-triphenyltetracen-5-ol
SMILESOC1(c2ccccc2)c2cc(Cl)ccc2C(c2ccccc2)(c2ccccc2)c2cc3ccccc3cc21
InChIInChI=1S/C36H25ClO/c37-30-20-21-31-34(24-30)36(38,29-18-8-3-9-19-29)33-23-26-13-11-10-12-25(26)22-32(33)35(31,27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-24,38H
InChIKeyDLOQMDCYIMXCPE-UHFFFAOYSA-N
XLogP8.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.05
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,12,12-triphenyltetracen-5-ol?
The IUPAC name of 3-chloro-5,12,12-triphenyltetracen-5-ol (CID 163521956) is 3-chloro-5,12,12-triphenyltetracen-5-ol.
What is the SMILES notation for 3-chloro-5,12,12-triphenyltetracen-5-ol?
The canonical SMILES for 3-chloro-5,12,12-triphenyltetracen-5-ol is OC1(c2ccccc2)c2cc(Cl)ccc2C(c2ccccc2)(c2ccccc2)c2cc3ccccc3cc21.
What is the InChIKey of 3-chloro-5,12,12-triphenyltetracen-5-ol?
The InChIKey is DLOQMDCYIMXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25ClO/c37-30-20-21-31-34(24-30)36(38,29-18-8-3-9-19-29)33-23-26-13-11-10-12-25(26)22-32(33)35(31,27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-24,38H.
What are the key properties of 3-chloro-5,12,12-triphenyltetracen-5-ol?
3-chloro-5,12,12-triphenyltetracen-5-ol has a molecular weight of 509.05 g/mol, XLogP of 8.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,12,12-triphenyltetracen-5-ol is sourced from PubChem (CID 163521956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).