CID 167400605

C29H32N2O — CID 167400605

IUPAC—
SMILES[CH2][C]1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C29H32N2O/c1-18(2)22-11-9-12-23(19(3)4)28(22)31-17-16-30(21(31)6)27-20(5)14-15-25-24-10-7-8-13-26(24)32-29(25)27/h7-15,18-19H,6,16-17H2,1-5H3
InChIKeyXLVJSNJMXHCCDJ-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.79
Rot. Bonds4

About CID 167400605

CID 167400605 (PubChem CID 167400605) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol.

Molecular Properties

Compound NameCID 167400605
PubChem CID167400605
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name—
SMILES[CH2][C]1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C29H32N2O/c1-18(2)22-11-9-12-23(19(3)4)28(22)31-17-16-30(21(31)6)27-20(5)14-15-25-24-10-7-8-13-26(24)32-29(25)27/h7-15,18-19H,6,16-17H2,1-5H3
InChIKeyXLVJSNJMXHCCDJ-UHFFFAOYSA-N
XLogP7.79
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
CID 140884046
CID 140884046
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
CID 140884078
CID 140884078
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole
CID 169028023
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
1-(2,6-dimethylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium
CID 140940248
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557

Frequently Asked Questions

What is the IUPAC name of CID 167400605?
The IUPAC name of CID 167400605 (CID 167400605) is not available.
What is the SMILES notation for CID 167400605?
The canonical SMILES for CID 167400605 is [CH2][C]1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C)ccc2c1oc1ccccc12.
What is the InChIKey of CID 167400605?
The InChIKey is XLVJSNJMXHCCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-18(2)22-11-9-12-23(19(3)4)28(22)31-17-16-30(21(31)6)27-20(5)14-15-25-24-10-7-8-13-26(24)32-29(25)27/h7-15,18-19H,6,16-17H2,1-5H3.
What are the key properties of CID 167400605?
CID 167400605 has a molecular weight of 424.59 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167400605 is sourced from PubChem (CID 167400605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).