3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine

C29H32N2 — CID 140871808

IUPAC3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine
SMILESCc1cc2c(cc1C)N1C(c3c(C(C)C)cccc3C(C)C)=CNC1c1ccccc1-2
InChIInChI=1S/C29H32N2/c1-17(2)21-12-9-13-22(18(3)4)28(21)27-16-30-29-24-11-8-7-10-23(24)25-14-19(5)20(6)15-26(25)31(27)29/h7-18,29-30H,1-6H3
InChIKeyAQCKVULCTXMZCK-UHFFFAOYSA-N
MW408.59 g/mol
LogP7.64
Rot. Bonds3

About 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine

3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine (PubChem CID 140871808) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine
PubChem CID140871808
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Name3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine
SMILESCc1cc2c(cc1C)N1C(c3c(C(C)C)cccc3C(C)C)=CNC1c1ccccc1-2
InChIInChI=1S/C29H32N2/c1-17(2)21-12-9-13-22(18(3)4)28(21)27-16-30-29-24-11-8-7-10-23(24)25-14-19(5)20(6)15-26(25)31(27)29/h7-18,29-30H,1-6H3
InChIKeyAQCKVULCTXMZCK-UHFFFAOYSA-N
XLogP7.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine (CID 140871808) is 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine is Cc1cc2c(cc1C)N1C(c3c(C(C)C)cccc3C(C)C)=CNC1c1ccccc1-2.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine?
The InChIKey is AQCKVULCTXMZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2/c1-17(2)21-12-9-13-22(18(3)4)28(21)27-16-30-29-24-11-8-7-10-23(24)25-14-19(5)20(6)15-26(25)31(27)29/h7-18,29-30H,1-6H3.
What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine?
3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine has a molecular weight of 408.59 g/mol, XLogP of 7.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 140871808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).