2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine

C24H33N — CID 86078544

IUPAC2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine
SMILESCCCCCc1nc2ccc(C3CCCCC3)cc2c2c1CCCC2
InChIInChI=1S/C24H33N/c1-2-3-5-14-23-21-13-9-8-12-20(21)22-17-19(15-16-24(22)25-23)18-10-6-4-7-11-18/h15-18H,2-14H2,1H3
InChIKeyPOFYMZJLJVYFKY-UHFFFAOYSA-N
MW335.54 g/mol
LogP6.89
Rot. Bonds5

About 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine

2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine (PubChem CID 86078544) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine.

Molecular Properties

Compound Name2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine
PubChem CID86078544
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine
SMILESCCCCCc1nc2ccc(C3CCCCC3)cc2c2c1CCCC2
InChIInChI=1S/C24H33N/c1-2-3-5-14-23-21-13-9-8-12-20(21)22-17-19(15-16-24(22)25-23)18-10-6-4-7-11-18/h15-18H,2-14H2,1H3
InChIKeyPOFYMZJLJVYFKY-UHFFFAOYSA-N
XLogP6.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tacrine
CID 1935
Acridine
CID 9215
Benz(c)acridine
CID 9181
6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
Tacrine Hydrochloride
CID 2723754
2-Methylquinoline
CID 7060
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine?
The IUPAC name of 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine (CID 86078544) is 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine.
What is the SMILES notation for 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine?
The canonical SMILES for 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine is CCCCCc1nc2ccc(C3CCCCC3)cc2c2c1CCCC2.
What is the InChIKey of 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine?
The InChIKey is POFYMZJLJVYFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-2-3-5-14-23-21-13-9-8-12-20(21)22-17-19(15-16-24(22)25-23)18-10-6-4-7-11-18/h15-18H,2-14H2,1H3.
What are the key properties of 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine?
2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine has a molecular weight of 335.54 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-pentyl-7,8,9,10-tetrahydrophenanthridine is sourced from PubChem (CID 86078544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).