N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine

C39H27NO2 — CID 163686857

IUPACN-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine
SMILESC=CCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C39H27NO2/c1-2-8-26-13-16-29(17-14-26)40(30-18-21-34-32-11-6-7-12-36(32)41-38(34)24-30)31-19-22-35-33-20-15-28(27-9-4-3-5-10-27)23-37(33)42-39(35)25-31/h2-7,9-25H,1,8H2
InChIKeyJPPIWLOLQXZPRZ-UHFFFAOYSA-N
MW541.65 g/mol
LogP11.35
Rot. Bonds6

About N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine

N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine (PubChem CID 163686857) has the molecular formula C39H27NO2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine
PubChem CID163686857
Molecular FormulaC39H27NO2
Molecular Weight541.65 g/mol
Exact Mass541.20
IUPAC NameN-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine
SMILESC=CCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C39H27NO2/c1-2-8-26-13-16-29(17-14-26)40(30-18-21-34-32-11-6-7-12-36(32)41-38(34)24-30)31-19-22-35-33-20-15-28(27-9-4-3-5-10-27)23-37(33)42-39(35)25-31/h2-7,9-25H,1,8H2
InChIKeyJPPIWLOLQXZPRZ-UHFFFAOYSA-N
XLogP11.35
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine (CID 163686857) is N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine is C=CCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
The InChIKey is JPPIWLOLQXZPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2/c1-2-8-26-13-16-29(17-14-26)40(30-18-21-34-32-11-6-7-12-36(32)41-38(34)24-30)31-19-22-35-33-20-15-28(27-9-4-3-5-10-27)23-37(33)42-39(35)25-31/h2-7,9-25H,1,8H2.
What are the key properties of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine has a molecular weight of 541.65 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 163686857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).