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

C42H33N5 — CID 145299401

IUPACN-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1cccc(-c2ccccc2)c1)c1cncc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C35H25N5.C7H8/c36-34(26-13-8-12-25(19-26)23-9-2-1-3-10-23)39-35(37)27-20-28(22-38-21-27)40-31-16-7-6-15-30(31)33-29-14-5-4-11-24(29)17-18-32(33)40;1-7-5-3-2-4-6-7/h1-22H,(H3,36,37,39);2-6H,1H3
InChIKeyIMACCULXGPOIFG-UHFFFAOYSA-N
MW607.76 g/mol
LogP9.72
Rot. Bonds4

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

N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene (PubChem CID 145299401) has the molecular formula C42H33N5 and a molecular weight of 607.76 g/mol. Its IUPAC name is N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene.

Molecular Properties

Compound NameN-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
PubChem CID145299401
Molecular FormulaC42H33N5
Molecular Weight607.76 g/mol
Exact Mass607.27
IUPAC NameN-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1cccc(-c2ccccc2)c1)c1cncc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C35H25N5.C7H8/c36-34(26-13-8-12-25(19-26)23-9-2-1-3-10-23)39-35(37)27-20-28(22-38-21-27)40-31-16-7-6-15-30(31)33-29-14-5-4-11-24(29)17-18-32(33)40;1-7-5-3-2-4-6-7/h1-22H,(H3,36,37,39);2-6H,1H3
InChIKeyIMACCULXGPOIFG-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-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054
N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide
CID 145299410
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
CID 145303508
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene
CID 145299539
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
N-[amino-[4-(3-cyanophenyl)phenyl]methylidene]-4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 170133419
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
3-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351412
9-[4-(3-methylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170201895
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033

Frequently Asked Questions

What is the IUPAC name of N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
The IUPAC name of N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene (CID 145299401) is N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene.
What is the SMILES notation for N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
The canonical SMILES for N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene is Cc1ccccc1.[H]/N=C(\N=C(/N)c1cccc(-c2ccccc2)c1)c1cncc(-n2c3ccccc3c3c4ccccc4ccc32)c1.
What is the InChIKey of N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
The InChIKey is IMACCULXGPOIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5.C7H8/c36-34(26-13-8-12-25(19-26)23-9-2-1-3-10-23)39-35(37)27-20-28(22-38-21-27)40-31-16-7-6-15-30(31)33-29-14-5-4-11-24(29)17-18-32(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-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene?
N-[amino-(3-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-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene is sourced from PubChem (CID 145299401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).