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

C49H41N3O — CID 134281290

IUPACN-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
SMILESCCCCOc1ccc(Cn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C49H41N3O/c1-2-3-32-53-43-28-24-36(25-29-43)35-52-46-33-41(50-48(37-16-8-4-9-17-37)38-18-10-5-11-19-38)26-30-44(46)45-31-27-42(34-47(45)52)51-49(39-20-12-6-13-21-39)40-22-14-7-15-23-40/h4-31,33-34H,2-3,32,35H2,1H3
InChIKeyKFWFONCZUFXUPT-UHFFFAOYSA-N
MW687.89 g/mol
LogP12.36
Rot. Bonds12

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

N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine (PubChem CID 134281290) has the molecular formula C49H41N3O and a molecular weight of 687.89 g/mol. Its IUPAC name is N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
PubChem CID134281290
Molecular FormulaC49H41N3O
Molecular Weight687.89 g/mol
Exact Mass687.32
IUPAC NameN-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
SMILESCCCCOc1ccc(Cn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C49H41N3O/c1-2-3-32-53-43-28-24-36(25-29-43)35-52-46-33-41(50-48(37-16-8-4-9-17-37)38-18-10-5-11-19-38)26-30-44(46)45-31-27-42(34-47(45)52)51-49(39-20-12-6-13-21-39)40-22-14-7-15-23-40/h4-31,33-34H,2-3,32,35H2,1H3
InChIKeyKFWFONCZUFXUPT-UHFFFAOYSA-N
XLogP12.36
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 512.36
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-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine (CID 134281290) is N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine is CCCCOc1ccc(Cn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The InChIKey is KFWFONCZUFXUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N3O/c1-2-3-32-53-43-28-24-36(25-29-43)35-52-46-33-41(50-48(37-16-8-4-9-17-37)38-18-10-5-11-19-38)26-30-44(46)45-31-27-42(34-47(45)52)51-49(39-20-12-6-13-21-39)40-22-14-7-15-23-40/h4-31,33-34H,2-3,32,35H2,1H3.
What are the key properties of N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
N-[7-(benzhydrylideneamino)-9-[(4-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine has a molecular weight of 687.89 g/mol, XLogP of 12.36, 12 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-butoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 134281290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).