1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine

C47H36N2O — CID 170048478

IUPAC1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine
SMILESNc1ccc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc3)cc2c1OCc1ccccc1
InChIInChI=1S/C47H36N2O/c48-45-31-26-39-20-21-40(32-44(39)47(45)50-33-34-12-4-1-5-13-34)37-24-29-42(30-25-37)49(41-27-22-36(23-28-41)35-14-6-2-7-15-35)46-19-11-10-18-43(46)38-16-8-3-9-17-38/h1-32H,33,48H2
InChIKeyFYQDAOPNNXFDKE-UHFFFAOYSA-N
MW644.82 g/mol
LogP12.47
Rot. Bonds9

About 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine

1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine (PubChem CID 170048478) has the molecular formula C47H36N2O and a molecular weight of 644.82 g/mol. Its IUPAC name is 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine
PubChem CID170048478
Molecular FormulaC47H36N2O
Molecular Weight644.82 g/mol
Exact Mass644.28
IUPAC Name1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine
SMILESNc1ccc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc3)cc2c1OCc1ccccc1
InChIInChI=1S/C47H36N2O/c48-45-31-26-39-20-21-40(32-44(39)47(45)50-33-34-12-4-1-5-13-34)37-24-29-42(30-25-37)49(41-27-22-36(23-28-41)35-14-6-2-7-15-35)46-19-11-10-18-43(46)38-16-8-3-9-17-38/h1-32H,33,48H2
InChIKeyFYQDAOPNNXFDKE-UHFFFAOYSA-N
XLogP12.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
2-amino-6-[4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenanthren-1-ol
CID 174295108
2-chrysen-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 170141194
N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 177293583
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine?
The IUPAC name of 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine (CID 170048478) is 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine.
What is the SMILES notation for 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine?
The canonical SMILES for 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine is Nc1ccc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc3)cc2c1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine?
The InChIKey is FYQDAOPNNXFDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2O/c48-45-31-26-39-20-21-40(32-44(39)47(45)50-33-34-12-4-1-5-13-34)37-24-29-42(30-25-37)49(41-27-22-36(23-28-41)35-14-6-2-7-15-35)46-19-11-10-18-43(46)38-16-8-3-9-17-38/h1-32H,33,48H2.
What are the key properties of 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine?
1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine has a molecular weight of 644.82 g/mol, XLogP of 12.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170048478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).