N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C36H35N — CID 129208590

IUPACN-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC/C=C(\CCCC)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C36H35N/c1-3-5-13-28(12-4-2)29-20-22-30(23-21-29)31-24-26-34(27-25-31)37(33-16-7-6-8-17-33)36-19-11-15-32-14-9-10-18-35(32)36/h6-12,14-27H,3-5,13H2,1-2H3/b28-12+
InChIKeyPQVNDIJVDVBSEO-KVSWJAHQSA-N
MW481.68 g/mol
LogP10.96
Rot. Bonds9

About N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 129208590) has the molecular formula C36H35N and a molecular weight of 481.68 g/mol. Its IUPAC name is N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID129208590
Molecular FormulaC36H35N
Molecular Weight481.68 g/mol
Exact Mass481.28
IUPAC NameN-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC/C=C(\CCCC)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C36H35N/c1-3-5-13-28(12-4-2)29-20-22-30(23-21-29)31-24-26-34(27-25-31)37(33-16-7-6-8-17-33)36-19-11-15-32-14-9-10-18-35(32)36/h6-12,14-27H,3-5,13H2,1-2H3/b28-12+
InChIKeyPQVNDIJVDVBSEO-KVSWJAHQSA-N
XLogP10.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 129208590) is N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is CC/C=C(\CCCC)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is PQVNDIJVDVBSEO-KVSWJAHQSA-N. The full InChI is InChI=1S/C36H35N/c1-3-5-13-28(12-4-2)29-20-22-30(23-21-29)31-24-26-34(27-25-31)37(33-16-7-6-8-17-33)36-19-11-15-32-14-9-10-18-35(32)36/h6-12,14-27H,3-5,13H2,1-2H3/b28-12+.
What are the key properties of N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 481.68 g/mol, XLogP of 10.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 129208590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).