N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene

C42H33N5 — CID 145313054

IUPACN-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)c1cncc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C35H25N5.C7H8/c36-34(26-16-14-24(15-17-26)23-8-2-1-3-9-23)39-35(37)27-20-28(22-38-21-27)40-31-13-7-6-12-30(31)33-29-11-5-4-10-25(29)18-19-32(33)40;1-7-5-3-2-4-6-7/h1-22H,(H3,36,37,39);2-6H,1H3
InChIKeyUHPWQUFVHCHZDV-UHFFFAOYSA-N
MW607.76 g/mol
LogP9.72
Rot. Bonds4

About N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene

N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene (PubChem CID 145313054) has the molecular formula C42H33N5 and a molecular weight of 607.76 g/mol. Its IUPAC name is N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene.

Molecular Properties

Compound NameN-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
PubChem CID145313054
Molecular FormulaC42H33N5
Molecular Weight607.76 g/mol
Exact Mass607.27
IUPAC NameN-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)c1cncc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C35H25N5.C7H8/c36-34(26-16-14-24(15-17-26)23-8-2-1-3-9-23)39-35(37)27-20-28(22-38-21-27)40-31-13-7-6-12-30(31)33-29-11-5-4-10-25(29)18-19-32(33)40;1-7-5-3-2-4-6-7/h1-22H,(H3,36,37,39);2-6H,1H3
InChIKeyUHPWQUFVHCHZDV-UHFFFAOYSA-N
XLogP9.72
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 59.72
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-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145299401
N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide
CID 145299410
N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene
CID 145299539
benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
CID 145303508
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
N-[amino-[4-(3-cyanophenyl)phenyl]methylidene]-4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 170133419
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 121422958
7-(2,6-diphenyl-4-pyridinyl)benzo[c]carbazole
CID 70836984
7-phenyl-9-(9-pyridin-3-ylcarbazol-3-yl)benzo[c]carbazole
CID 129294310

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
The IUPAC name of N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene (CID 145313054) is N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene.
What is the SMILES notation for N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
The canonical SMILES for N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene is Cc1ccccc1.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)c1cncc(-n2c3ccccc3c3c4ccccc4ccc32)c1.
What is the InChIKey of N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
The InChIKey is UHPWQUFVHCHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5.C7H8/c36-34(26-16-14-24(15-17-26)23-8-2-1-3-9-23)39-35(37)27-20-28(22-38-21-27)40-31-13-7-6-12-30(31)33-29-11-5-4-10-25(29)18-19-32(33)40;1-7-5-3-2-4-6-7/h1-22H,(H3,36,37,39);2-6H,1H3.
What are the key properties of N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene has a molecular weight of 607.76 g/mol, XLogP of 9.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene is sourced from PubChem (CID 145313054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).