4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide

C69H47N5 — CID 167401485

IUPAC4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1)c1cc(-c2ccccc2)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C69H47N5/c70-68(72-69(52-30-14-5-15-31-52)71-46-47-40-53(48-22-6-1-7-23-48)42-54(41-47)49-24-8-2-9-25-49)55-43-60(50-26-10-3-11-27-50)67(61(44-55)51-28-12-4-13-29-51)74-65-37-21-18-34-59(65)62-45-56(38-39-66(62)74)73-63-35-19-16-32-57(63)58-33-17-20-36-64(58)73/h1-46,70H/b70-68-,71-46+,72-69-
InChIKeyORTFPJNPESZRRO-JKERIGEISA-N
MW946.17 g/mol
LogP17.44
Rot. Bonds9

About 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide

4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide (PubChem CID 167401485) has the molecular formula C69H47N5 and a molecular weight of 946.17 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
PubChem CID167401485
Molecular FormulaC69H47N5
Molecular Weight946.17 g/mol
Exact Mass945.38
IUPAC Name4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1)c1cc(-c2ccccc2)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C69H47N5/c70-68(72-69(52-30-14-5-15-31-52)71-46-47-40-53(48-22-6-1-7-23-48)42-54(41-47)49-24-8-2-9-25-49)55-43-60(50-26-10-3-11-27-50)67(61(44-55)51-28-12-4-13-29-51)74-65-37-21-18-34-59(65)62-45-56(38-39-66(62)74)73-63-35-19-16-32-57(63)58-33-17-20-36-64(58)73/h1-46,70H/b70-68-,71-46+,72-69-
InChIKeyORTFPJNPESZRRO-JKERIGEISA-N
XLogP17.44
TPSA58.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.17
LogP ≤ 517.44
H-Bond Donors ≤ 51
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-[(benzylideneamino)-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]naphthalene-2-carboximidamide
CID 156624019
N-[(carbazol-9-ylmethylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)benzenecarboximidamide
CID 170536763
N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide
CID 167403647
N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide
CID 171771566
7-benzo[b]carbazol-5-yl-N'-(9,9-dimethylfluorene-2-carboximidoyl)-N-[(3,5-diphenylphenyl)methylidene]dibenzothiophene-1-carboximidamide
CID 170412651
3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280568
N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide
CID 176837504
9,9-dimethyl-N-[phenyl-[[3-(20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaen-10-yl)phenyl]methylideneamino]methylidene]fluorene-2-carboximidamide
CID 163506399
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(3-phenylphenyl)carbazole
CID 167381390
N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide
CID 170536719
[6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane
CID 168762515
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane
CID 168762611

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
The IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide (CID 167401485) is 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide.
What is the SMILES notation for 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
The canonical SMILES for 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide is [H]/N=C(\N=C(/N=C/c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1)c1cc(-c2ccccc2)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccccc2)c1.
What is the InChIKey of 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
The InChIKey is ORTFPJNPESZRRO-JKERIGEISA-N. The full InChI is InChI=1S/C69H47N5/c70-68(72-69(52-30-14-5-15-31-52)71-46-47-40-53(48-22-6-1-7-23-48)42-54(41-47)49-24-8-2-9-25-49)55-43-60(50-26-10-3-11-27-50)67(61(44-55)51-28-12-4-13-29-51)74-65-37-21-18-34-59(65)62-45-56(38-39-66(62)74)73-63-35-19-16-32-57(63)58-33-17-20-36-64(58)73/h1-46,70H/b70-68-,71-46+,72-69-.
What are the key properties of 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide has a molecular weight of 946.17 g/mol, XLogP of 17.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide is sourced from PubChem (CID 167401485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).