N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine

C71H55N3 — CID 145018400

IUPACN-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine
SMILESC=N/C(=C1/C=CC=CC1CC)c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccc(/C(=N/Cc8ccccc8)c8ccccc8)cc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C71H55N3/c1-3-51-21-13-14-34-67(51)71(72-2)57-41-37-53(38-42-57)58-26-15-28-60(43-58)62-30-17-32-64(45-62)66-47-68(54-22-9-5-10-23-54)74-69(48-66)65-33-18-31-63(46-65)61-29-16-27-59(44-61)52-35-39-56(40-36-52)70(55-24-11-6-12-25-55)73-49-50-19-7-4-8-20-50/h4-48,51H,2-3,49H2,1H3/b71-67-,73-70+
InChIKeyXXMRUQWIVODIGY-DKLORJKDSA-N
MW950.24 g/mol
LogP18.35
Rot. Bonds14

About N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine

N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine (PubChem CID 145018400) has the molecular formula C71H55N3 and a molecular weight of 950.24 g/mol. Its IUPAC name is N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine
PubChem CID145018400
Molecular FormulaC71H55N3
Molecular Weight950.24 g/mol
Exact Mass949.44
IUPAC NameN-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine
SMILESC=N/C(=C1/C=CC=CC1CC)c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccc(/C(=N/Cc8ccccc8)c8ccccc8)cc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C71H55N3/c1-3-51-21-13-14-34-67(51)71(72-2)57-41-37-53(38-42-57)58-26-15-28-60(43-58)62-30-17-32-64(45-62)66-47-68(54-22-9-5-10-23-54)74-69(48-66)65-33-18-31-63(46-65)61-29-16-27-59(44-61)52-35-39-56(40-36-52)70(55-24-11-6-12-25-55)73-49-50-19-7-4-8-20-50/h4-48,51H,2-3,49H2,1H3/b71-67-,73-70+
InChIKeyXXMRUQWIVODIGY-DKLORJKDSA-N
XLogP18.35
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.24
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine with MolForge

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Related Compounds

(Z)-N-benzyl-N'-methylidene-1-(3-phenylphenyl)-3-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]propan-2-yl]phenyl]prop-2-ene-1,3-diimine
CID 145073369
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
[4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645644
2,4-bis(3,5-diphenylphenyl)-6-phenylpyridine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]pyridine;4-phenyl-2,6-bis[3-(4-phenylphenyl)phenyl]pyridine
CID 159753320
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
2-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-[3-[3-[6-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 134447606

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine?
The IUPAC name of N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine (CID 145018400) is N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine?
The canonical SMILES for N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine is C=N/C(=C1/C=CC=CC1CC)c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccc(/C(=N/Cc8ccccc8)c8ccccc8)cc7)c6)c5)c4)c3)c2)cc1.
What is the InChIKey of N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine?
The InChIKey is XXMRUQWIVODIGY-DKLORJKDSA-N. The full InChI is InChI=1S/C71H55N3/c1-3-51-21-13-14-34-67(51)71(72-2)57-41-37-53(38-42-57)58-26-15-28-60(43-58)62-30-17-32-64(45-62)66-47-68(54-22-9-5-10-23-54)74-69(48-66)65-33-18-31-63(46-65)61-29-16-27-59(44-61)52-35-39-56(40-36-52)70(55-24-11-6-12-25-55)73-49-50-19-7-4-8-20-50/h4-48,51H,2-3,49H2,1H3/b71-67-,73-70+.
What are the key properties of N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine?
N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine has a molecular weight of 950.24 g/mol, XLogP of 18.35, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-[3-[3-[4-[3-[3-[4-[(Z)-(6-ethylcyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]phenyl]phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]phenyl]phenyl]-1-phenylmethanimine is sourced from PubChem (CID 145018400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).