3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine

C31H24FN3O — CID 23593203

IUPAC3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(C)c4ccc(F)cc4)ccc23)n1
InChIInChI=1S/C31H24FN3O/c1-21-7-6-10-31(33-21)35(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)36-30(28)20-26)34(2)23-13-11-22(32)12-14-23/h3-20H,1-2H3
InChIKeyNCSOULVVDHMABS-UHFFFAOYSA-N
MW473.55 g/mol
LogP8.67
Rot. Bonds5

About 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine

3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine (PubChem CID 23593203) has the molecular formula C31H24FN3O and a molecular weight of 473.55 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine
PubChem CID23593203
Molecular FormulaC31H24FN3O
Molecular Weight473.55 g/mol
Exact Mass473.19
IUPAC Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(C)c4ccc(F)cc4)ccc23)n1
InChIInChI=1S/C31H24FN3O/c1-21-7-6-10-31(33-21)35(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)36-30(28)20-26)34(2)23-13-11-22(32)12-14-23/h3-20H,1-2H3
InChIKeyNCSOULVVDHMABS-UHFFFAOYSA-N
XLogP8.67
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine (CID 23593203) is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine is Cc1cccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(C)c4ccc(F)cc4)ccc23)n1.
What is the InChIKey of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine?
The InChIKey is NCSOULVVDHMABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN3O/c1-21-7-6-10-31(33-21)35(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)36-30(28)20-26)34(2)23-13-11-22(32)12-14-23/h3-20H,1-2H3.
What are the key properties of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine?
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine has a molecular weight of 473.55 g/mol, XLogP of 8.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzofuran-3,7-diamine is sourced from PubChem (CID 23593203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).