3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine

C33H30N2 — CID 59365997

IUPAC3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
SMILESC1=C(c2cccc(C3=CCCCC3)c2-c2cnc3c4ccccc4c4ccccc4n23)CCCC1
InChIInChI=1S/C33H30N2/c1-3-12-23(13-4-1)25-19-11-20-26(24-14-5-2-6-15-24)32(25)31-22-34-33-29-18-8-7-16-27(29)28-17-9-10-21-30(28)35(31)33/h7-12,14,16-22H,1-6,13,15H2
InChIKeyHWUHUZJFEOVMSE-UHFFFAOYSA-N
MW454.62 g/mol
LogP9.22
Rot. Bonds3

About 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine

3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine (PubChem CID 59365997) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
PubChem CID59365997
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
SMILESC1=C(c2cccc(C3=CCCCC3)c2-c2cnc3c4ccccc4c4ccccc4n23)CCCC1
InChIInChI=1S/C33H30N2/c1-3-12-23(13-4-1)25-19-11-20-26(24-14-5-2-6-15-24)32(25)31-22-34-33-29-18-8-7-16-27(29)28-17-9-10-21-30(28)35(31)33/h7-12,14,16-22H,1-6,13,15H2
InChIKeyHWUHUZJFEOVMSE-UHFFFAOYSA-N
XLogP9.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine (CID 59365997) is 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine is C1=C(c2cccc(C3=CCCCC3)c2-c2cnc3c4ccccc4c4ccccc4n23)CCCC1.
What is the InChIKey of 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine?
The InChIKey is HWUHUZJFEOVMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-3-12-23(13-4-1)25-19-11-20-26(24-14-5-2-6-15-24)32(25)31-22-34-33-29-18-8-7-16-27(29)28-17-9-10-21-30(28)35(31)33/h7-12,14,16-22H,1-6,13,15H2.
What are the key properties of 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine?
3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine has a molecular weight of 454.62 g/mol, XLogP of 9.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 59365997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).