N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline

C34H31N — CID 170418074

IUPACN-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline
SMILESc1ccc(-c2cc(-c3cccc(Nc4ccc(C5CCCCC5)cc4)c3)cc3ccccc23)cc1
InChIInChI=1S/C34H31N/c1-3-10-25(11-4-1)26-18-20-31(21-19-26)35-32-16-9-15-28(23-32)30-22-29-14-7-8-17-33(29)34(24-30)27-12-5-2-6-13-27/h2,5-9,12-25,35H,1,3-4,10-11H2
InChIKeyMRBBCXIJTIWNQG-UHFFFAOYSA-N
MW453.63 g/mol
LogP9.97
Rot. Bonds5

About N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline

N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline (PubChem CID 170418074) has the molecular formula C34H31N and a molecular weight of 453.63 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline
PubChem CID170418074
Molecular FormulaC34H31N
Molecular Weight453.63 g/mol
Exact Mass453.25
IUPAC NameN-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline
SMILESc1ccc(-c2cc(-c3cccc(Nc4ccc(C5CCCCC5)cc4)c3)cc3ccccc23)cc1
InChIInChI=1S/C34H31N/c1-3-10-25(11-4-1)26-18-20-31(21-19-26)35-32-16-9-15-28(23-32)30-22-29-14-7-8-17-33(29)34(24-30)27-12-5-2-6-13-27/h2,5-9,12-25,35H,1,3-4,10-11H2
InChIKeyMRBBCXIJTIWNQG-UHFFFAOYSA-N
XLogP9.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 59.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline?
The IUPAC name of N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline (CID 170418074) is N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline.
What is the SMILES notation for N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline?
The canonical SMILES for N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline is c1ccc(-c2cc(-c3cccc(Nc4ccc(C5CCCCC5)cc4)c3)cc3ccccc23)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline?
The InChIKey is MRBBCXIJTIWNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N/c1-3-10-25(11-4-1)26-18-20-31(21-19-26)35-32-16-9-15-28(23-32)30-22-29-14-7-8-17-33(29)34(24-30)27-12-5-2-6-13-27/h2,5-9,12-25,35H,1,3-4,10-11H2.
What are the key properties of N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline?
N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline has a molecular weight of 453.63 g/mol, XLogP of 9.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline is sourced from PubChem (CID 170418074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).