8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine

C34H23NO — CID 130208127

IUPAC8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cccc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C34H23NO/c1-3-12-26(13-4-1)35(27-14-5-2-6-15-27)28-19-21-34-32(23-28)31-22-25(18-20-33(31)36-34)30-17-9-11-24-10-7-8-16-29(24)30/h1-23H
InChIKeyBFQFDFAJINICCY-UHFFFAOYSA-N
MW461.56 g/mol
LogP9.88
Rot. Bonds4

About 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine

8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine (PubChem CID 130208127) has the molecular formula C34H23NO and a molecular weight of 461.56 g/mol. Its IUPAC name is 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine.

Molecular Properties

Compound Name8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
PubChem CID130208127
Molecular FormulaC34H23NO
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cccc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C34H23NO/c1-3-12-26(13-4-1)35(27-14-5-2-6-15-27)28-19-21-34-32(23-28)31-22-25(18-20-33(31)36-34)30-17-9-11-24-10-7-8-16-29(24)30/h1-23H
InChIKeyBFQFDFAJINICCY-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 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine?
The IUPAC name of 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine (CID 130208127) is 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine.
What is the SMILES notation for 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine?
The canonical SMILES for 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine is c1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cccc6ccccc56)cc4c3c2)cc1.
What is the InChIKey of 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine?
The InChIKey is BFQFDFAJINICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO/c1-3-12-26(13-4-1)35(27-14-5-2-6-15-27)28-19-21-34-32(23-28)31-22-25(18-20-33(31)36-34)30-17-9-11-24-10-7-8-16-29(24)30/h1-23H.
What are the key properties of 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine?
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-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 8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine is sourced from PubChem (CID 130208127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).