N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C43H33NO — CID 59306565

IUPACN-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC=Cc1ccc(COc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C43H33NO/c1-2-32-15-17-33(18-16-32)31-45-41-29-23-37(24-30-41)36-21-27-40(28-22-36)44(43-14-8-12-38-11-6-7-13-42(38)43)39-25-19-35(20-26-39)34-9-4-3-5-10-34/h2-30H,1,31H2
InChIKeyTZKZGBHOUOMCBV-UHFFFAOYSA-N
MW579.74 g/mol
LogP11.87
Rot. Bonds9

About N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 59306565) has the molecular formula C43H33NO and a molecular weight of 579.74 g/mol. Its IUPAC name is N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID59306565
Molecular FormulaC43H33NO
Molecular Weight579.74 g/mol
Exact Mass579.26
IUPAC NameN-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC=Cc1ccc(COc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C43H33NO/c1-2-32-15-17-33(18-16-32)31-45-41-29-23-37(24-30-41)36-21-27-40(28-22-36)44(43-14-8-12-38-11-6-7-13-42(38)43)39-25-19-35(20-26-39)34-9-4-3-5-10-34/h2-30H,1,31H2
InChIKeyTZKZGBHOUOMCBV-UHFFFAOYSA-N
XLogP11.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
CID 122552094
N-[4-[9,9-bis[(4-ethenylphenyl)methyl]fluoren-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166977720
N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-triethoxysilylpropyl)phenyl]naphthalen-1-amine
CID 59431032
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-[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,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-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 59306565) is N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is C=Cc1ccc(COc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is TZKZGBHOUOMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NO/c1-2-32-15-17-33(18-16-32)31-45-41-29-23-37(24-30-41)36-21-27-40(28-22-36)44(43-14-8-12-38-11-6-7-13-42(38)43)39-25-19-35(20-26-39)34-9-4-3-5-10-34/h2-30H,1,31H2.
What are the key properties of N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 579.74 g/mol, XLogP of 11.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 59306565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).