4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline

C35H26BrNO — CID 145256488

IUPAC4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline
SMILESBrc1cccc(-c2ccc(N(c3ccccc3)c3ccc(OCc4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C35H26BrNO/c36-30-12-7-10-28(24-30)26-16-18-32(19-17-26)37(31-13-2-1-3-14-31)33-20-22-34(23-21-33)38-25-29-11-6-9-27-8-4-5-15-35(27)29/h1-24H,25H2
InChIKeyGVQVBMRDMYAZKZ-UHFFFAOYSA-N
MW556.50 g/mol
LogP10.32
Rot. Bonds7

About 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline

4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline (PubChem CID 145256488) has the molecular formula C35H26BrNO and a molecular weight of 556.50 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline
PubChem CID145256488
Molecular FormulaC35H26BrNO
Molecular Weight556.50 g/mol
Exact Mass555.12
IUPAC Name4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline
SMILESBrc1cccc(-c2ccc(N(c3ccccc3)c3ccc(OCc4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C35H26BrNO/c36-30-12-7-10-28(24-30)26-16-18-32(19-17-26)37(31-13-2-1-3-14-31)33-20-22-34(23-21-33)38-25-29-11-6-9-27-8-4-5-15-35(27)29/h1-24H,25H2
InChIKeyGVQVBMRDMYAZKZ-UHFFFAOYSA-N
XLogP10.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.50
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327934
N-[4-(4-bromophenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160874814
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
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-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-[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-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 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline?
The IUPAC name of 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline (CID 145256488) is 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline?
The canonical SMILES for 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline is Brc1cccc(-c2ccc(N(c3ccccc3)c3ccc(OCc4cccc5ccccc45)cc3)cc2)c1.
What is the InChIKey of 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline?
The InChIKey is GVQVBMRDMYAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26BrNO/c36-30-12-7-10-28(24-30)26-16-18-32(19-17-26)37(31-13-2-1-3-14-31)33-20-22-34(23-21-33)38-25-29-11-6-9-27-8-4-5-15-35(27)29/h1-24H,25H2.
What are the key properties of 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline?
4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline has a molecular weight of 556.50 g/mol, XLogP of 10.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-[4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylaniline is sourced from PubChem (CID 145256488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).