3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine

C38H40N2 — CID 140760569

IUPAC3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine
SMILESCC(C)Cc1cccc(CC(C)C)c1-c1c(C(C)(C)c2ccccc2)nc2c3ccccc3c3ccccc3n12
InChIInChI=1S/C38H40N2/c1-25(2)23-27-15-14-16-28(24-26(3)4)34(27)35-36(38(5,6)29-17-8-7-9-18-29)39-37-32-21-11-10-19-30(32)31-20-12-13-22-33(31)40(35)37/h7-22,25-26H,23-24H2,1-6H3
InChIKeyDYWWMVACUUXHCB-UHFFFAOYSA-N
MW524.75 g/mol
LogP10.03
Rot. Bonds7

About 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine

3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine (PubChem CID 140760569) has the molecular formula C38H40N2 and a molecular weight of 524.75 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine
PubChem CID140760569
Molecular FormulaC38H40N2
Molecular Weight524.75 g/mol
Exact Mass524.32
IUPAC Name3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine
SMILESCC(C)Cc1cccc(CC(C)C)c1-c1c(C(C)(C)c2ccccc2)nc2c3ccccc3c3ccccc3n12
InChIInChI=1S/C38H40N2/c1-25(2)23-27-15-14-16-28(24-26(3)4)34(27)35-36(38(5,6)29-17-8-7-9-18-29)39-37-32-21-11-10-19-30(32)31-20-12-13-22-33(31)40(35)37/h7-22,25-26H,23-24H2,1-6H3
InChIKeyDYWWMVACUUXHCB-UHFFFAOYSA-N
XLogP10.03
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 510.03
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]-2-[(1R)-1-phenyl-1-pyridin-2-ylethyl]-11-(1-phenyl-1-pyridin-2-ylethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium(3+)
CID 154622290
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]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
CID 145008568
3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine
CID 165169299
3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine
CID 161122785
3-[2-(2-deuterio-2-methylpropyl)-6-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine
CID 157249771
3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine
CID 144782387
9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole
CID 135141021
7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane
CID 144979771
26-tert-butyl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18,20,22,24(29),25,27-tetradecaene
CID 122393458
11-(2-methylpentan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 146426414
3-(2-carbazol-9-ylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 58162790

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine (CID 140760569) is 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine is CC(C)Cc1cccc(CC(C)C)c1-c1c(C(C)(C)c2ccccc2)nc2c3ccccc3c3ccccc3n12.
What is the InChIKey of 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine?
The InChIKey is DYWWMVACUUXHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2/c1-25(2)23-27-15-14-16-28(24-26(3)4)34(27)35-36(38(5,6)29-17-8-7-9-18-29)39-37-32-21-11-10-19-30(32)31-20-12-13-22-33(31)40(35)37/h7-22,25-26H,23-24H2,1-6H3.
What are the key properties of 3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine?
3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine has a molecular weight of 524.75 g/mol, XLogP of 10.03, 7 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]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 140760569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).