3-cyclohexyl-2,5-diphenyl-1H-pyrrole

C22H23N — CID 13223945

IUPAC3-cyclohexyl-2,5-diphenyl-1H-pyrrole
SMILESc1ccc(-c2cc(C3CCCCC3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C22H23N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h2-3,6-9,12-17,23H,1,4-5,10-11H2
InChIKeyBGLDWXRXXMFGOT-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.40
Rot. Bonds3

About 3-cyclohexyl-2,5-diphenyl-1H-pyrrole

3-cyclohexyl-2,5-diphenyl-1H-pyrrole (PubChem CID 13223945) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-cyclohexyl-2,5-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name3-cyclohexyl-2,5-diphenyl-1H-pyrrole
PubChem CID13223945
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name3-cyclohexyl-2,5-diphenyl-1H-pyrrole
SMILESc1ccc(-c2cc(C3CCCCC3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C22H23N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h2-3,6-9,12-17,23H,1,4-5,10-11H2
InChIKeyBGLDWXRXXMFGOT-UHFFFAOYSA-N
XLogP6.40
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,5-diphenyl-1H-pyrrole?
The IUPAC name of 3-cyclohexyl-2,5-diphenyl-1H-pyrrole (CID 13223945) is 3-cyclohexyl-2,5-diphenyl-1H-pyrrole.
What is the SMILES notation for 3-cyclohexyl-2,5-diphenyl-1H-pyrrole?
The canonical SMILES for 3-cyclohexyl-2,5-diphenyl-1H-pyrrole is c1ccc(-c2cc(C3CCCCC3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 3-cyclohexyl-2,5-diphenyl-1H-pyrrole?
The InChIKey is BGLDWXRXXMFGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h2-3,6-9,12-17,23H,1,4-5,10-11H2.
What are the key properties of 3-cyclohexyl-2,5-diphenyl-1H-pyrrole?
3-cyclohexyl-2,5-diphenyl-1H-pyrrole has a molecular weight of 301.43 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,5-diphenyl-1H-pyrrole is sourced from PubChem (CID 13223945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).