3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium

C35H37N2+ — CID 171747300

IUPAC3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium
SMILESCc1cccc2c3ccccc3n3c(-c4c(C5C=CCCC5)cccc4C4CCCCC4)c[n+](C)c3c12
InChIInChI=1S/C35H37N2/c1-24-13-11-21-30-29-18-9-10-22-31(29)37-32(23-36(2)35(37)33(24)30)34-27(25-14-5-3-6-15-25)19-12-20-28(34)26-16-7-4-8-17-26/h5,9-14,18-23,25-26H,3-4,6-8,15-17H2,1-2H3/q+1
InChIKeyFVRUUXMVFOYFRV-UHFFFAOYSA-N
MW485.70 g/mol
LogP8.92
Rot. Bonds3

About 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium

3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium (PubChem CID 171747300) has the molecular formula C35H37N2+ and a molecular weight of 485.70 g/mol. Its IUPAC name is 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium.

Molecular Properties

Compound Name3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium
PubChem CID171747300
Molecular FormulaC35H37N2+
Molecular Weight485.70 g/mol
Exact Mass485.30
IUPAC Name3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium
SMILESCc1cccc2c3ccccc3n3c(-c4c(C5C=CCCC5)cccc4C4CCCCC4)c[n+](C)c3c12
InChIInChI=1S/C35H37N2/c1-24-13-11-21-30-29-18-9-10-22-31(29)37-32(23-36(2)35(37)33(24)30)34-27(25-14-5-3-6-15-25)19-12-20-28(34)26-16-7-4-8-17-26/h5,9-14,18-23,25-26H,3-4,6-8,15-17H2,1-2H3/q+1
InChIKeyFVRUUXMVFOYFRV-UHFFFAOYSA-N
XLogP8.92
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.70
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 122492451
14-cyclohexyl-6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 170230741
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CID 59365920
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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium?
The IUPAC name of 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium (CID 171747300) is 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium.
What is the SMILES notation for 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium?
The canonical SMILES for 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium is Cc1cccc2c3ccccc3n3c(-c4c(C5C=CCCC5)cccc4C4CCCCC4)c[n+](C)c3c12.
What is the InChIKey of 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium?
The InChIKey is FVRUUXMVFOYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N2/c1-24-13-11-21-30-29-18-9-10-22-31(29)37-32(23-36(2)35(37)33(24)30)34-27(25-14-5-3-6-15-25)19-12-20-28(34)26-16-7-4-8-17-26/h5,9-14,18-23,25-26H,3-4,6-8,15-17H2,1-2H3/q+1.
What are the key properties of 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium?
3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium has a molecular weight of 485.70 g/mol, XLogP of 8.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohex-2-en-1-yl-6-cyclohexylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium is sourced from PubChem (CID 171747300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).