6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine

C32H25N — CID 134461745

IUPAC6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESC=CC(=C)c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2c1
InChIInChI=1S/C32H25N/c1-3-24(2)27-14-15-29-23-32(21-18-28(29)22-27)33(30-12-8-5-9-13-30)31-19-16-26(17-20-31)25-10-6-4-7-11-25/h3-23H,1-2H2
InChIKeyLABQKPPYHIMTCH-UHFFFAOYSA-N
MW423.56 g/mol
LogP9.18
Rot. Bonds6

About 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine

6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 134461745) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID134461745
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESC=CC(=C)c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2c1
InChIInChI=1S/C32H25N/c1-3-24(2)27-14-15-29-23-32(21-18-28(29)22-27)33(30-12-8-5-9-13-30)31-19-16-26(17-20-31)25-10-6-4-7-11-25/h3-23H,1-2H2
InChIKeyLABQKPPYHIMTCH-UHFFFAOYSA-N
XLogP9.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
4-ethenyl-N,N-bis(4-phenylphenyl)aniline;N-(4-ethenylphenyl)-N-phenylanthracen-2-amine;N-(4-ethenylphenyl)-N-phenylnaphthalen-2-amine;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 159518659
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
6-[(E)-1,2-diphenyl-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]-N,N-diphenylnaphthalen-2-amine
CID 58667564
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 86216082

Frequently Asked Questions

What is the IUPAC name of 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine (CID 134461745) is 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine is C=CC(=C)c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2c1.
What is the InChIKey of 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is LABQKPPYHIMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-3-24(2)27-14-15-29-23-32(21-18-28(29)22-27)33(30-12-8-5-9-13-30)31-19-16-26(17-20-31)25-10-6-4-7-11-25/h3-23H,1-2H2.
What are the key properties of 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 423.56 g/mol, XLogP of 9.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-buta-1,3-dien-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 134461745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).