N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine

C34H23NO — CID 167323696

IUPACN-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C34H23NO/c1-2-13-28(14-3-1)35(31-17-9-19-33-34(31)30-16-6-7-18-32(30)36-33)29-15-8-12-26(23-29)27-21-20-24-10-4-5-11-25(24)22-27/h1-23H
InChIKeyZJGMNWNBTZVDPV-UHFFFAOYSA-N
MW461.56 g/mol
LogP9.88
Rot. Bonds4

About N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine

N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine (PubChem CID 167323696) has the molecular formula C34H23NO and a molecular weight of 461.56 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
PubChem CID167323696
Molecular FormulaC34H23NO
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C34H23NO/c1-2-13-28(14-3-1)35(31-17-9-19-33-34(31)30-16-6-7-18-32(30)36-33)29-15-8-12-26(23-29)27-21-20-24-10-4-5-11-25(24)22-27/h1-23H
InChIKeyZJGMNWNBTZVDPV-UHFFFAOYSA-N
XLogP9.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine (CID 167323696) is N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine is c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
The InChIKey is ZJGMNWNBTZVDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO/c1-2-13-28(14-3-1)35(31-17-9-19-33-34(31)30-16-6-7-18-32(30)36-33)29-15-8-12-26(23-29)27-21-20-24-10-4-5-11-25(24)22-27/h1-23H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine has a molecular weight of 461.56 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 167323696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).