N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene

C43H37N — CID 143269183

IUPACN-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
SMILESCc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C35H27N.C8H10/c1-26-14-16-29(17-15-26)30-18-21-33(22-19-30)36(35-23-20-28-10-5-6-11-31(28)25-35)34-13-7-12-32(24-34)27-8-3-2-4-9-27;1-7-4-3-5-8(2)6-7/h2-25H,1H3;3-6H,1-2H3
InChIKeyYKFQMOYNVQMXRT-UHFFFAOYSA-N
MW567.78 g/mol
LogP12.26
Rot. Bonds5

About N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene

N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene (PubChem CID 143269183) has the molecular formula C43H37N and a molecular weight of 567.78 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
PubChem CID143269183
Molecular FormulaC43H37N
Molecular Weight567.78 g/mol
Exact Mass567.29
IUPAC NameN-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
SMILESCc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C35H27N.C8H10/c1-26-14-16-29(17-15-26)30-18-21-33(22-19-30)36(35-23-20-28-10-5-6-11-31(28)25-35)34-13-7-12-32(24-34)27-8-3-2-4-9-27;1-7-4-3-5-8(2)6-7/h2-25H,1H3;3-6H,1-2H3
InChIKeyYKFQMOYNVQMXRT-UHFFFAOYSA-N
XLogP12.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.78
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene?
The IUPAC name of N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene (CID 143269183) is N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene.
What is the SMILES notation for N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene?
The canonical SMILES for N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene is Cc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1.Cc1cccc(C)c1.
What is the InChIKey of N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene?
The InChIKey is YKFQMOYNVQMXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N.C8H10/c1-26-14-16-29(17-15-26)30-18-21-33(22-19-30)36(35-23-20-28-10-5-6-11-31(28)25-35)34-13-7-12-32(24-34)27-8-3-2-4-9-27;1-7-4-3-5-8(2)6-7/h2-25H,1H3;3-6H,1-2H3.
What are the key properties of N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene?
N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene has a molecular weight of 567.78 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene is sourced from PubChem (CID 143269183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).