5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine

C22H29N — CID 140789867

IUPAC5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine
SMILESCC1(C)CC(C)(C)c2cnc(-c3ccccc3)cc2C(C)(C)C1
InChIInChI=1S/C22H29N/c1-20(2)14-21(3,4)17-12-19(16-10-8-7-9-11-16)23-13-18(17)22(5,6)15-20/h7-13H,14-15H2,1-6H3
InChIKeyXMPUPZICHGQHMM-UHFFFAOYSA-N
MW307.48 g/mol
LogP6.12
Rot. Bonds1

About 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine

5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine (PubChem CID 140789867) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine
PubChem CID140789867
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine
SMILESCC1(C)CC(C)(C)c2cnc(-c3ccccc3)cc2C(C)(C)C1
InChIInChI=1S/C22H29N/c1-20(2)14-21(3,4)17-12-19(16-10-8-7-9-11-16)23-13-18(17)22(5,6)15-20/h7-13H,14-15H2,1-6H3
InChIKeyXMPUPZICHGQHMM-UHFFFAOYSA-N
XLogP6.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine?
The IUPAC name of 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine (CID 140789867) is 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine.
What is the SMILES notation for 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine?
The canonical SMILES for 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine is CC1(C)CC(C)(C)c2cnc(-c3ccccc3)cc2C(C)(C)C1.
What is the InChIKey of 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine?
The InChIKey is XMPUPZICHGQHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-20(2)14-21(3,4)17-12-19(16-10-8-7-9-11-16)23-13-18(17)22(5,6)15-20/h7-13H,14-15H2,1-6H3.
What are the key properties of 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine?
5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine has a molecular weight of 307.48 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine is sourced from PubChem (CID 140789867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).