N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine

C39H24N2O — CID 118312464

IUPACN-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine
SMILESc1cncc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C39H24N2O/c1-2-15-37-31(10-1)34-13-5-14-36(39(34)42-37)41(29-9-6-22-40-24-29)28-19-16-25(17-20-28)27-18-21-30-32-11-3-7-26-8-4-12-33(38(26)32)35(30)23-27/h1-24H
InChIKeyFDRSONADPHTJRZ-UHFFFAOYSA-N
MW536.63 g/mol
LogP10.92
Rot. Bonds4

About N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine

N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine (PubChem CID 118312464) has the molecular formula C39H24N2O and a molecular weight of 536.63 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine
PubChem CID118312464
Molecular FormulaC39H24N2O
Molecular Weight536.63 g/mol
Exact Mass536.19
IUPAC NameN-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine
SMILESc1cncc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C39H24N2O/c1-2-15-37-31(10-1)34-13-5-14-36(39(34)42-37)41(29-9-6-22-40-24-29)28-19-16-25(17-20-28)27-18-21-30-32-11-3-7-26-8-4-12-33(38(26)32)35(30)23-27/h1-24H
InChIKeyFDRSONADPHTJRZ-UHFFFAOYSA-N
XLogP10.92
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine (CID 118312464) is N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine is c1cncc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc2)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine?
The InChIKey is FDRSONADPHTJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O/c1-2-15-37-31(10-1)34-13-5-14-36(39(34)42-37)41(29-9-6-22-40-24-29)28-19-16-25(17-20-28)27-18-21-30-32-11-3-7-26-8-4-12-33(38(26)32)35(30)23-27/h1-24H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine?
N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine has a molecular weight of 536.63 g/mol, XLogP of 10.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine is sourced from PubChem (CID 118312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).