4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline

C51H36N4 — CID 102053185

IUPAC4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
SMILESC(=N/c1ccc2ccccc2c1)\c1ccc(N(c2ccc(/C=N/c3ccc4ccccc4c3)cc2)c2ccc(/C=N/c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H36N4/c1-4-10-43-31-46(22-19-40(43)7-1)52-34-37-13-25-49(26-14-37)55(50-27-15-38(16-28-50)35-53-47-23-20-41-8-2-5-11-44(41)32-47)51-29-17-39(18-30-51)36-54-48-24-21-42-9-3-6-12-45(42)33-48/h1-36H/b52-34+,53-35+,54-36+
InChIKeyDAYRCOPSYSHVEC-AJEAHFMYSA-N
MW704.88 g/mol
LogP13.87
Rot. Bonds9

About 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline

4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline (PubChem CID 102053185) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline.

Molecular Properties

Compound Name4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
PubChem CID102053185
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
SMILESC(=N/c1ccc2ccccc2c1)\c1ccc(N(c2ccc(/C=N/c3ccc4ccccc4c3)cc2)c2ccc(/C=N/c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H36N4/c1-4-10-43-31-46(22-19-40(43)7-1)52-34-37-13-25-49(26-14-37)55(50-27-15-38(16-28-50)35-53-47-23-20-41-8-2-5-11-44(41)32-47)51-29-17-39(18-30-51)36-54-48-24-21-42-9-3-6-12-45(42)33-48/h1-36H/b52-34+,53-35+,54-36+
InChIKeyDAYRCOPSYSHVEC-AJEAHFMYSA-N
XLogP13.87
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417
N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855490
3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline
CID 22967567
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
2,6-dimethoxy-4-(naphthalen-2-yliminomethyl)phenol
CID 1284379
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398
4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
[3-(naphthalen-2-ylmethylideneamino)phenyl]methanol
CID 786243
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline?
The IUPAC name of 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline (CID 102053185) is 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline.
What is the SMILES notation for 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline?
The canonical SMILES for 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline is C(=N/c1ccc2ccccc2c1)\c1ccc(N(c2ccc(/C=N/c3ccc4ccccc4c3)cc2)c2ccc(/C=N/c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline?
The InChIKey is DAYRCOPSYSHVEC-AJEAHFMYSA-N. The full InChI is InChI=1S/C51H36N4/c1-4-10-43-31-46(22-19-40(43)7-1)52-34-37-13-25-49(26-14-37)55(50-27-15-38(16-28-50)35-53-47-23-20-41-8-2-5-11-44(41)32-47)51-29-17-39(18-30-51)36-54-48-24-21-42-9-3-6-12-45(42)33-48/h1-36H/b52-34+,53-35+,54-36+.
What are the key properties of 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline?
4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline has a molecular weight of 704.88 g/mol, XLogP of 13.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline is sourced from PubChem (CID 102053185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).