3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine

C31H34N2 — CID 165169299

IUPAC3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine
SMILESCc1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)nc(C)c3c12
InChIInChI=1S/C31H34N2/c1-19(2)17-23-12-10-13-24(18-20(3)4)29(23)31-32-22(6)30-28-21(5)11-9-15-26(28)25-14-7-8-16-27(25)33(30)31/h7-16,19-20H,17-18H2,1-6H3
InChIKeyHAKMVEUAOZNHPX-UHFFFAOYSA-N
MW434.63 g/mol
LogP8.32
Rot. Bonds5

About 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine

3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine (PubChem CID 165169299) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine.

Molecular Properties

Compound Name3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine
PubChem CID165169299
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC Name3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine
SMILESCc1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)nc(C)c3c12
InChIInChI=1S/C31H34N2/c1-19(2)17-23-12-10-13-24(18-20(3)4)29(23)31-32-22(6)30-28-21(5)11-9-15-26(28)25-14-7-8-16-27(25)33(30)31/h7-16,19-20H,17-18H2,1-6H3
InChIKeyHAKMVEUAOZNHPX-UHFFFAOYSA-N
XLogP8.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 58.32
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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Related Compounds

3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine
CID 144782387
3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
CID 145008568
3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 140760569
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
CID 139907976
9-[2,6-bis(2-methylpropyl)phenyl]-12,13-diethyl-12,13-dimethyl-8-aza-11-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,9,11(19),14,16-octaene
CID 123808521
11,14-dimethyl-3-(2-methylpropyl)-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685105
25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
18-(2,6-dimethylphenyl)-2,9,17,19-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.020,24]tetracosa-1(23),3,5,7,9,11,13,15,18,20(24),21-undecaene
CID 164734168
3-[2,6-bis(2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine;3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 160802426
3-[2,6-bis(2-methylpropyl)phenyl]-9-tert-butyl-5,8-dimethyl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene
CID 140932615
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine?
The IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine (CID 165169299) is 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine.
What is the SMILES notation for 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine?
The canonical SMILES for 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine is Cc1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)nc(C)c3c12.
What is the InChIKey of 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine?
The InChIKey is HAKMVEUAOZNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-19(2)17-23-12-10-13-24(18-20(3)4)29(23)31-32-22(6)30-28-21(5)11-9-15-26(28)25-14-7-8-16-27(25)33(30)31/h7-16,19-20H,17-18H2,1-6H3.
What are the key properties of 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine?
3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine has a molecular weight of 434.63 g/mol, XLogP of 8.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine is sourced from PubChem (CID 165169299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).