phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine

C32H24N2 — CID 142425021

IUPACphenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine
SMILESNC(c1ccccc1)c1ccc2ccc(-c3ccc(-c4ccnc5ccccc45)cc3)cc2c1
InChIInChI=1S/C32H24N2/c33-32(25-6-2-1-3-7-25)27-17-13-23-12-16-26(20-28(23)21-27)22-10-14-24(15-11-22)29-18-19-34-31-9-5-4-8-30(29)31/h1-21,32H,33H2
InChIKeyZSVWOTWWGUWDJN-UHFFFAOYSA-N
MW436.56 g/mol
LogP7.77
Rot. Bonds4

About phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine

phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine (PubChem CID 142425021) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine.

Molecular Properties

Compound Namephenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine
PubChem CID142425021
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Namephenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine
SMILESNC(c1ccccc1)c1ccc2ccc(-c3ccc(-c4ccnc5ccccc45)cc3)cc2c1
InChIInChI=1S/C32H24N2/c33-32(25-6-2-1-3-7-25)27-17-13-23-12-16-26(20-28(23)21-27)22-10-14-24(15-11-22)29-18-19-34-31-9-5-4-8-30(29)31/h1-21,32H,33H2
InChIKeyZSVWOTWWGUWDJN-UHFFFAOYSA-N
XLogP7.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine?
The IUPAC name of phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine (CID 142425021) is phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine.
What is the SMILES notation for phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine?
The canonical SMILES for phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine is NC(c1ccccc1)c1ccc2ccc(-c3ccc(-c4ccnc5ccccc45)cc3)cc2c1.
What is the InChIKey of phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine?
The InChIKey is ZSVWOTWWGUWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c33-32(25-6-2-1-3-7-25)27-17-13-23-12-16-26(20-28(23)21-27)22-10-14-24(15-11-22)29-18-19-34-31-9-5-4-8-30(29)31/h1-21,32H,33H2.
What are the key properties of phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine?
phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine has a molecular weight of 436.56 g/mol, XLogP of 7.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[7-(4-quinolin-4-ylphenyl)naphthalen-2-yl]methanamine is sourced from PubChem (CID 142425021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).