N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine

C37H38N2O2 — CID 25185727

IUPACN-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine
SMILESCc1cc(/N=C/c2ccccc2)c2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)cc(/N=C/c4ccccc4)c3O1)O2
InChIInChI=1S/C37H38N2O2/c1-25-17-29-33(31(19-25)38-21-27-13-9-7-10-14-27)40-37(23-35(29,3)4)24-36(5,6)30-18-26(2)20-32(34(30)41-37)39-22-28-15-11-8-12-16-28/h7-22H,23-24H2,1-6H3/b38-21+,39-22+
InChIKeyWZOKFWNXABKIIJ-JTXJZOSOSA-N
MW542.72 g/mol
LogP9.32
Rot. Bonds4

About N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine

N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine (PubChem CID 25185727) has the molecular formula C37H38N2O2 and a molecular weight of 542.72 g/mol. Its IUPAC name is N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine
PubChem CID25185727
Molecular FormulaC37H38N2O2
Molecular Weight542.72 g/mol
Exact Mass542.29
IUPAC NameN-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine
SMILESCc1cc(/N=C/c2ccccc2)c2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)cc(/N=C/c4ccccc4)c3O1)O2
InChIInChI=1S/C37H38N2O2/c1-25-17-29-33(31(19-25)38-21-27-13-9-7-10-14-27)40-37(23-35(29,3)4)24-36(5,6)30-18-26(2)20-32(34(30)41-37)39-22-28-15-11-8-12-16-28/h7-22H,23-24H2,1-6H3/b38-21+,39-22+
InChIKeyWZOKFWNXABKIIJ-JTXJZOSOSA-N
XLogP9.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 59.32
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

5-[4,4,4',4',6,6'-hexamethyl-8'-(5-oxobenzo[b]phosphindol-5-yl)-2,2'-spirobi[3H-chromene]-8-yl]benzo[b]phosphindole 5-oxide
CID 66556665
N-[2-(benzylideneamino)-3,8-dimethylbenzo[c][1,2]benzodithiin-9-yl]-1-phenylmethanimine
CID 59167423
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone
CID 5097499
N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
CID 139193639
2,2,4,4,6-pentamethyl-3H-chromene-8-carbonitrile
CID 59113730
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414
N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine
CID 3672393
2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol
CID 123646076
N,1-diphenylmethanimine
CID 10858

Frequently Asked Questions

What is the IUPAC name of N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine?
The IUPAC name of N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine (CID 25185727) is N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine?
The canonical SMILES for N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine is Cc1cc(/N=C/c2ccccc2)c2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)cc(/N=C/c4ccccc4)c3O1)O2.
What is the InChIKey of N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine?
The InChIKey is WZOKFWNXABKIIJ-JTXJZOSOSA-N. The full InChI is InChI=1S/C37H38N2O2/c1-25-17-29-33(31(19-25)38-21-27-13-9-7-10-14-27)40-37(23-35(29,3)4)24-36(5,6)30-18-26(2)20-32(34(30)41-37)39-22-28-15-11-8-12-16-28/h7-22H,23-24H2,1-6H3/b38-21+,39-22+.
What are the key properties of N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine?
N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine has a molecular weight of 542.72 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine is sourced from PubChem (CID 25185727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).