4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide

C56H40N4 — CID 90231146

IUPAC4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccc(-n2c3ccc(/C=C\Nc4ccccc4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C56H40N4/c57-56(59-55(43-20-9-3-10-21-43)47-37-45(40-15-5-1-6-16-40)36-46(38-47)41-17-7-2-8-18-41)44-26-29-49(30-27-44)60-52-31-25-39(33-34-58-48-22-11-4-12-23-48)35-51(52)54-50-24-14-13-19-42(50)28-32-53(54)60/h1-38,57-58H/b34-33-,57-56+,59-55+
InChIKeyUKGMLAIERPNROK-ZJDJZISISA-N
MW768.96 g/mol
LogP14.22
Rot. Bonds9

About 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide

4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide (PubChem CID 90231146) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound Name4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide
PubChem CID90231146
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC Name4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccc(-n2c3ccc(/C=C\Nc4ccccc4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C56H40N4/c57-56(59-55(43-20-9-3-10-21-43)47-37-45(40-15-5-1-6-16-40)36-46(38-47)41-17-7-2-8-18-41)44-26-29-49(30-27-44)60-52-31-25-39(33-34-58-48-22-11-4-12-23-48)35-51(52)54-50-24-14-13-19-42(50)28-32-53(54)60/h1-38,57-58H/b34-33-,57-56+,59-55+
InChIKeyUKGMLAIERPNROK-ZJDJZISISA-N
XLogP14.22
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[phenyl-[(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)amino]methylidene]benzenecarboximidamide
CID 145094324
N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054
N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145299401
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
N-[[9-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)naphtho[1,2-b][1]benzofuran-10-yl]methylidene]-N'-(4-phenylbenzenecarboximidoyl)naphthalene-1-carboximidamide
CID 167347893
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
CID 167401485
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031

Frequently Asked Questions

What is the IUPAC name of 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide (CID 90231146) is 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide is [H]/N=C(/N=C(\c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccc(-n2c3ccc(/C=C\Nc4ccccc4)cc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide?
The InChIKey is UKGMLAIERPNROK-ZJDJZISISA-N. The full InChI is InChI=1S/C56H40N4/c57-56(59-55(43-20-9-3-10-21-43)47-37-45(40-15-5-1-6-16-40)36-46(38-47)41-17-7-2-8-18-41)44-26-29-49(30-27-44)60-52-31-25-39(33-34-58-48-22-11-4-12-23-48)35-51(52)54-50-24-14-13-19-42(50)28-32-53(54)60/h1-38,57-58H/b34-33-,57-56+,59-55+.
What are the key properties of 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide?
4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide has a molecular weight of 768.96 g/mol, XLogP of 14.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[(Z)-2-anilinoethenyl]benzo[c]carbazol-7-yl]-N-[(3,5-diphenylphenyl)-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 90231146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).