N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide

C57H45N3 — CID 167256765

IUPACN'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide
SMILESC=C(/C=C\C(=C1\C=CC=CC1)c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1)C(=C/Cc1ccccc1)/N=C(\N)c1ccccc1
InChIInChI=1S/C57H45N3/c1-41(54(40-26-42-15-5-2-6-16-42)59-57(58)49-19-9-4-10-20-49)25-39-51(47-17-7-3-8-18-47)48-33-31-45(32-34-48)43-27-29-44(30-28-43)46-35-37-50(38-36-46)60-55-23-13-11-21-52(55)53-22-12-14-24-56(53)60/h2-17,19-25,27-40H,1,18,26H2,(H2,58,59)/b39-25-,51-47+,54-40-
InChIKeyDBKATBCXKKSNLA-WQTJHNNDSA-N
MW772.01 g/mol
LogP14.03
Rot. Bonds11

About N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide

N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide (PubChem CID 167256765) has the molecular formula C57H45N3 and a molecular weight of 772.01 g/mol. Its IUPAC name is N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide
PubChem CID167256765
Molecular FormulaC57H45N3
Molecular Weight772.01 g/mol
Exact Mass771.36
IUPAC NameN'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide
SMILESC=C(/C=C\C(=C1\C=CC=CC1)c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1)C(=C/Cc1ccccc1)/N=C(\N)c1ccccc1
InChIInChI=1S/C57H45N3/c1-41(54(40-26-42-15-5-2-6-16-42)59-57(58)49-19-9-4-10-20-49)25-39-51(47-17-7-3-8-18-47)48-33-31-45(32-34-48)43-27-29-44(30-28-43)46-35-37-50(38-36-46)60-55-23-13-11-21-52(55)53-22-12-14-24-56(53)60/h2-17,19-25,27-40H,1,18,26H2,(H2,58,59)/b39-25-,51-47+,54-40-
InChIKeyDBKATBCXKKSNLA-WQTJHNNDSA-N
XLogP14.03
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.01
LogP ≤ 514.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide with MolForge

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Related Compounds

N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 143099604
3-[9-[3-[(3Z)-3-[(10E)-10-cyclohexa-2,4-dien-1-ylidenephenanthren-9-ylidene]prop-1-en-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118349947
N'-[(Z)-3-phenyl-1-[4-(6-thia-25-azaheptacyclo[15.11.0.02,14.05,13.07,12.018,26.019,24]octacosa-1(17),2(14),3,5(13),7,9,11,15,18(26),19,21,23,27-tridecaen-25-yl)phenyl]prop-1-enyl]benzenecarboximidamide
CID 142289850
9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane
CID 144680677
N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide
CID 145018307
N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954
3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole
CID 155111390
N-[5-[4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]hexa-1,3,5-trien-2-yl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 76816177
9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
CID 154692605
N-[1-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylprop-1-enyl]-2-methyl-1-phenylbutan-1-imine
CID 123923571
N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide
CID 88979108

Frequently Asked Questions

What is the IUPAC name of N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide?
The IUPAC name of N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide (CID 167256765) is N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide.
What is the SMILES notation for N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide?
The canonical SMILES for N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide is C=C(/C=C\C(=C1\C=CC=CC1)c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1)C(=C/Cc1ccccc1)/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide?
The InChIKey is DBKATBCXKKSNLA-WQTJHNNDSA-N. The full InChI is InChI=1S/C57H45N3/c1-41(54(40-26-42-15-5-2-6-16-42)59-57(58)49-19-9-4-10-20-49)25-39-51(47-17-7-3-8-18-47)48-33-31-45(32-34-48)43-27-29-44(30-28-43)46-35-37-50(38-36-46)60-55-23-13-11-21-52(55)53-22-12-14-24-56(53)60/h2-17,19-25,27-40H,1,18,26H2,(H2,58,59)/b39-25-,51-47+,54-40-.
What are the key properties of N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide?
N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide has a molecular weight of 772.01 g/mol, XLogP of 14.03, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide is sourced from PubChem (CID 167256765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).