4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

C52H38N2O — CID 170424626

IUPAC4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
SMILESC=Nc1c(OCc2ccccc2)ccc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cc3)cc12
InChIInChI=1S/C52H38N2O/c1-53-52-50-35-46(23-21-43(50)28-33-51(52)55-36-37-10-4-2-5-11-37)41-18-16-39(17-19-41)40-24-29-48(30-25-40)54(47-14-6-3-7-15-47)49-31-26-42(27-32-49)45-22-20-38-12-8-9-13-44(38)34-45/h2-35H,1,36H2
InChIKeyDRZZROOSYKIODY-UHFFFAOYSA-N
MW706.89 g/mol
LogP14.37
Rot. Bonds10

About 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (PubChem CID 170424626) has the molecular formula C52H38N2O and a molecular weight of 706.89 g/mol. Its IUPAC name is 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
PubChem CID170424626
Molecular FormulaC52H38N2O
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC Name4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
SMILESC=Nc1c(OCc2ccccc2)ccc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cc3)cc12
InChIInChI=1S/C52H38N2O/c1-53-52-50-35-46(23-21-43(50)28-33-51(52)55-36-37-10-4-2-5-11-37)41-18-16-39(17-19-41)40-24-29-48(30-25-40)54(47-14-6-3-7-15-47)49-31-26-42(27-32-49)45-22-20-38-12-8-9-13-44(38)34-45/h2-35H,1,36H2
InChIKeyDRZZROOSYKIODY-UHFFFAOYSA-N
XLogP14.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
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
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 167183726
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
CID 145077482
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 166917482
N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 170136400
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389

Frequently Asked Questions

What is the IUPAC name of 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (CID 170424626) is 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is C=Nc1c(OCc2ccccc2)ccc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cc3)cc12.
What is the InChIKey of 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The InChIKey is DRZZROOSYKIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O/c1-53-52-50-35-46(23-21-43(50)28-33-51(52)55-36-37-10-4-2-5-11-37)41-18-16-39(17-19-41)40-24-29-48(30-25-40)54(47-14-6-3-7-15-47)49-31-26-42(27-32-49)45-22-20-38-12-8-9-13-44(38)34-45/h2-35H,1,36H2.
What are the key properties of 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline has a molecular weight of 706.89 g/mol, XLogP of 14.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[8-(methylideneamino)-7-phenylmethoxynaphthalen-2-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170424626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).