3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide

C34H26N4 — CID 88979108

IUPAC3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(\N)c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N4/c1-24(25-13-4-2-5-14-25)36-34(26-15-6-3-7-16-26)37-33(35)27-17-12-18-28(23-27)38-31-21-10-8-19-29(31)30-20-9-11-22-32(30)38/h2-23H,1H2,(H2,35,36,37)
InChIKeyOZKGILIWNTYBNW-UHFFFAOYSA-N
MW490.61 g/mol
LogP7.61
Rot. Bonds5

About 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide

3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide (PubChem CID 88979108) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide
PubChem CID88979108
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(\N)c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N4/c1-24(25-13-4-2-5-14-25)36-34(26-15-6-3-7-16-26)37-33(35)27-17-12-18-28(23-27)38-31-21-10-8-19-29(31)30-20-9-11-22-32(30)38/h2-23H,1H2,(H2,35,36,37)
InChIKeyOZKGILIWNTYBNW-UHFFFAOYSA-N
XLogP7.61
TPSA55.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 57.61
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'}

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Related Compounds

N-(2-methyl-1-phenylpropylidene)-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 147584351
3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
CID 145000761
N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide
CID 171812843
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide
CID 89303822
3-(12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 167186375
N-ethylidene-N'-(1-phenylethenyl)-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzenecarboximidamide
CID 142322277
N-[[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]methylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 144955964
N-[amino(phenyl)methylidene]-N'-benzyl-3-(16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaen-10-yl)benzenecarboximidamide
CID 144645140
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-3-(3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-yl)benzenecarboximidamide
CID 167096637
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 164724135

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide?
The IUPAC name of 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide (CID 88979108) is 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide?
The canonical SMILES for 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide is C=C(/N=C(/N=C(\N)c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide?
The InChIKey is OZKGILIWNTYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1-24(25-13-4-2-5-14-25)36-34(26-15-6-3-7-16-26)37-33(35)27-17-12-18-28(23-27)38-31-21-10-8-19-29(31)30-20-9-11-22-32(30)38/h2-23H,1H2,(H2,35,36,37).
What are the key properties of 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide?
3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide has a molecular weight of 490.61 g/mol, XLogP of 7.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 88979108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).