7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine

C42H34N2O2 — CID 170048432

IUPAC7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine
SMILESCOc1cc(N(c2ccccc2)c2ccc(-c3ccc4ccc(N)c(OCc5ccccc5)c4c3)cc2)ccc1-c1ccccc1
InChIInChI=1S/C42H34N2O2/c1-45-41-28-37(24-25-38(41)32-13-7-3-8-14-32)44(35-15-9-4-10-16-35)36-22-19-31(20-23-36)34-18-17-33-21-26-40(43)42(39(33)27-34)46-29-30-11-5-2-6-12-30/h2-28H,29,43H2,1H3
InChIKeyKIUBZGPZKWANIW-UHFFFAOYSA-N
MW598.75 g/mol
LogP10.81
Rot. Bonds9

About 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine

7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine (PubChem CID 170048432) has the molecular formula C42H34N2O2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine.

Molecular Properties

Compound Name7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine
PubChem CID170048432
Molecular FormulaC42H34N2O2
Molecular Weight598.75 g/mol
Exact Mass598.26
IUPAC Name7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine
SMILESCOc1cc(N(c2ccccc2)c2ccc(-c3ccc4ccc(N)c(OCc5ccccc5)c4c3)cc2)ccc1-c1ccccc1
InChIInChI=1S/C42H34N2O2/c1-45-41-28-37(24-25-38(41)32-13-7-3-8-14-32)44(35-15-9-4-10-16-35)36-22-19-31(20-23-36)34-18-17-33-21-26-40(43)42(39(33)27-34)46-29-30-11-5-2-6-12-30/h2-28H,29,43H2,1H3
InChIKeyKIUBZGPZKWANIW-UHFFFAOYSA-N
XLogP10.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 510.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenylmethoxy-7-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]naphthalen-2-amine
CID 170048478
N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 177293583
4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170424626
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
CID 132542294
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
9,9-dimethyl-N,N-diphenyl-7-(8-phenylnaphthalen-2-yl)fluoren-2-amine
CID 139352610
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58607563
4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(3-phenylphenyl)naphthalen-2-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(4-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 158319710
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706

Frequently Asked Questions

What is the IUPAC name of 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine?
The IUPAC name of 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine (CID 170048432) is 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine.
What is the SMILES notation for 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine?
The canonical SMILES for 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine is COc1cc(N(c2ccccc2)c2ccc(-c3ccc4ccc(N)c(OCc5ccccc5)c4c3)cc2)ccc1-c1ccccc1.
What is the InChIKey of 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine?
The InChIKey is KIUBZGPZKWANIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2O2/c1-45-41-28-37(24-25-38(41)32-13-7-3-8-14-32)44(35-15-9-4-10-16-35)36-22-19-31(20-23-36)34-18-17-33-21-26-40(43)42(39(33)27-34)46-29-30-11-5-2-6-12-30/h2-28H,29,43H2,1H3.
What are the key properties of 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine?
7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine has a molecular weight of 598.75 g/mol, XLogP of 10.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(N-(3-methoxy-4-phenylphenyl)anilino)phenyl]-1-phenylmethoxynaphthalen-2-amine is sourced from PubChem (CID 170048432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).