N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine

C28H19ClN2 — CID 4646176

IUPACN-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine
SMILESClc1c2ccccc2c(C=NN=C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C28H19ClN2/c29-27-24-17-9-7-15-22(24)26(23-16-8-10-18-25(23)27)19-30-31-28(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19H
InChIKeyRHUJBEVULVHBKG-UHFFFAOYSA-N
MW418.93 g/mol
LogP7.52
Rot. Bonds4

About N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine

N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine (PubChem CID 4646176) has the molecular formula C28H19ClN2 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine
PubChem CID4646176
Molecular FormulaC28H19ClN2
Molecular Weight418.93 g/mol
Exact Mass418.12
IUPAC NameN-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine
SMILESClc1c2ccccc2c(C=NN=C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C28H19ClN2/c29-27-24-17-9-7-15-22(24)26(23-16-8-10-18-25(23)27)19-30-31-28(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19H
InChIKeyRHUJBEVULVHBKG-UHFFFAOYSA-N
XLogP7.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 2259065
N-[(4-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 4618251
3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
CID 2127680
(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine
CID 89330312
4-[(benzhydrylidenehydrazinylidene)methyl]benzoic acid
CID 2495897
1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine
CID 2460827
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
CID 7937324
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide
CID 173435898
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679

Frequently Asked Questions

What is the IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine?
The IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine (CID 4646176) is N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine is Clc1c2ccccc2c(C=NN=C(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine?
The InChIKey is RHUJBEVULVHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2/c29-27-24-17-9-7-15-22(24)26(23-16-8-10-18-25(23)27)19-30-31-28(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19H.
What are the key properties of N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine?
N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine has a molecular weight of 418.93 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine is sourced from PubChem (CID 4646176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).