7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane

C38H52N2 — CID 144979771

IUPAC7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane
SMILESCC.CCC.Cc1nc2c3ccccc3c3cc(CC(C)(C)C)ccc3n2c1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C33H38N2.C3H8.C2H6/c1-20(2)24-14-11-15-25(21(3)4)30(24)31-22(5)34-32-27-13-10-9-12-26(27)28-18-23(19-33(6,7)8)16-17-29(28)35(31)32;1-3-2;1-2/h9-18,20-21H,19H2,1-8H3;3H2,1-2H3;1-2H3
InChIKeyVZCUWBVSYAPDSP-UHFFFAOYSA-N
MW536.85 g/mol
LogP11.89
Rot. Bonds4

About 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane

7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane (PubChem CID 144979771) has the molecular formula C38H52N2 and a molecular weight of 536.85 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane
PubChem CID144979771
Molecular FormulaC38H52N2
Molecular Weight536.85 g/mol
Exact Mass536.41
IUPAC Name7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane
SMILESCC.CCC.Cc1nc2c3ccccc3c3cc(CC(C)(C)C)ccc3n2c1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C33H38N2.C3H8.C2H6/c1-20(2)24-14-11-15-25(21(3)4)30(24)31-22(5)34-32-27-13-10-9-12-26(27)28-18-23(19-33(6,7)8)16-17-29(28)35(31)32;1-3-2;1-2/h9-18,20-21H,19H2,1-8H3;3H2,1-2H3;1-2H3
InChIKeyVZCUWBVSYAPDSP-UHFFFAOYSA-N
XLogP11.89
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.85
LogP ≤ 511.89
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-dimethylphenyl)-7-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58162639
3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine
CID 161122785
10-(2,2-dimethylpropyl)-16-thia-14,18,20-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(20),2,4,6,8(13),9,11,15(19),17-nonaene
CID 58162571
3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
CID 58163115
2-methyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358732
CID 161026691
CID 161026691
23-[2,6-di(propan-2-yl)phenyl]-20-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21(26),22,24,27-tridecaene
CID 176752917
7-(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162565
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 140760569
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
20-(2,2-dimethylpropyl)-14,17-dimethyl-3-propan-2-yl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2(7),3,5,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
CID 170234129

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane?
The IUPAC name of 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane (CID 144979771) is 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane?
The canonical SMILES for 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane is CC.CCC.Cc1nc2c3ccccc3c3cc(CC(C)(C)C)ccc3n2c1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane?
The InChIKey is VZCUWBVSYAPDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2.C3H8.C2H6/c1-20(2)24-14-11-15-25(21(3)4)30(24)31-22(5)34-32-27-13-10-9-12-26(27)28-18-23(19-33(6,7)8)16-17-29(28)35(31)32;1-3-2;1-2/h9-18,20-21H,19H2,1-8H3;3H2,1-2H3;1-2H3.
What are the key properties of 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane?
7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane has a molecular weight of 536.85 g/mol, XLogP of 11.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane is sourced from PubChem (CID 144979771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).