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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Related Compounds

1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558

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).