N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine

C42H35FN2O2 — CID 134528627

IUPACN-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine
SMILESCN(c1cc(CC(C)(C)c2ccccc2N(C)c2cccc3c2oc2ccccc23)ccc1F)c1cccc2c1oc1ccccc12
InChIInChI=1S/C42H35FN2O2/c1-42(2,32-17-7-8-18-34(32)44(3)35-19-11-15-30-28-13-5-9-21-38(28)46-40(30)35)26-27-23-24-33(43)37(25-27)45(4)36-20-12-16-31-29-14-6-10-22-39(29)47-41(31)36/h5-25H,26H2,1-4H3
InChIKeyALBTWPKNOKMPLT-UHFFFAOYSA-N
MW618.75 g/mol
LogP11.68
Rot. Bonds7

About N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine

N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine (PubChem CID 134528627) has the molecular formula C42H35FN2O2 and a molecular weight of 618.75 g/mol. Its IUPAC name is N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine
PubChem CID134528627
Molecular FormulaC42H35FN2O2
Molecular Weight618.75 g/mol
Exact Mass618.27
IUPAC NameN-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine
SMILESCN(c1cc(CC(C)(C)c2ccccc2N(C)c2cccc3c2oc2ccccc23)ccc1F)c1cccc2c1oc1ccccc12
InChIInChI=1S/C42H35FN2O2/c1-42(2,32-17-7-8-18-34(32)44(3)35-19-11-15-30-28-13-5-9-21-38(28)46-40(30)35)26-27-23-24-33(43)37(25-27)45(4)36-20-12-16-31-29-14-6-10-22-39(29)47-41(31)36/h5-25H,26H2,1-4H3
InChIKeyALBTWPKNOKMPLT-UHFFFAOYSA-N
XLogP11.68
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.75
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine?
The IUPAC name of N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine (CID 134528627) is N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine.
What is the SMILES notation for N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine?
The canonical SMILES for N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine is CN(c1cc(CC(C)(C)c2ccccc2N(C)c2cccc3c2oc2ccccc23)ccc1F)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine?
The InChIKey is ALBTWPKNOKMPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35FN2O2/c1-42(2,32-17-7-8-18-34(32)44(3)35-19-11-15-30-28-13-5-9-21-38(28)46-40(30)35)26-27-23-24-33(43)37(25-27)45(4)36-20-12-16-31-29-14-6-10-22-39(29)47-41(31)36/h5-25H,26H2,1-4H3.
What are the key properties of N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine?
N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine has a molecular weight of 618.75 g/mol, XLogP of 11.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine is sourced from PubChem (CID 134528627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).