N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine

C51H45N3O — CID 134281258

IUPACN-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
SMILESCCCCCCOc1ccc(Cn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C51H45N3O/c1-2-3-4-17-34-55-45-30-26-38(27-31-45)37-54-48-35-43(52-50(39-18-9-5-10-19-39)40-20-11-6-12-21-40)28-32-46(48)47-33-29-44(36-49(47)54)53-51(41-22-13-7-14-23-41)42-24-15-8-16-25-42/h5-16,18-33,35-36H,2-4,17,34,37H2,1H3
InChIKeyARSKLYKGVUMYMI-UHFFFAOYSA-N
MW715.94 g/mol
LogP13.14
Rot. Bonds14

About N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine

N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine (PubChem CID 134281258) has the molecular formula C51H45N3O and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
PubChem CID134281258
Molecular FormulaC51H45N3O
Molecular Weight715.94 g/mol
Exact Mass715.36
IUPAC NameN-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
SMILESCCCCCCOc1ccc(Cn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C51H45N3O/c1-2-3-4-17-34-55-45-30-26-38(27-31-45)37-54-48-35-43(52-50(39-18-9-5-10-19-39)40-20-11-6-12-21-40)28-32-46(48)47-33-29-44(36-49(47)54)53-51(41-22-13-7-14-23-41)42-24-15-8-16-25-42/h5-16,18-33,35-36H,2-4,17,34,37H2,1H3
InChIKeyARSKLYKGVUMYMI-UHFFFAOYSA-N
XLogP13.14
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine (CID 134281258) is N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine is CCCCCCOc1ccc(Cn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The InChIKey is ARSKLYKGVUMYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N3O/c1-2-3-4-17-34-55-45-30-26-38(27-31-45)37-54-48-35-43(52-50(39-18-9-5-10-19-39)40-20-11-6-12-21-40)28-32-46(48)47-33-29-44(36-49(47)54)53-51(41-22-13-7-14-23-41)42-24-15-8-16-25-42/h5-16,18-33,35-36H,2-4,17,34,37H2,1H3.
What are the key properties of N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine has a molecular weight of 715.94 g/mol, XLogP of 13.14, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(benzhydrylideneamino)-9-[(4-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 134281258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).