N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide

C29H21N5 — CID 145299410

IUPACN'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/N=C(\N)c1cccc(-n2c3ccccc3c3c4ccccc4ccc32)n1)c1ccccc1
InChIInChI=1S/C29H21N5/c30-28(20-10-2-1-3-11-20)33-29(31)23-14-8-16-26(32-23)34-24-15-7-6-13-22(24)27-21-12-5-4-9-19(21)17-18-25(27)34/h1-18H,(H3,30,31,33)
InChIKeyMUVLUJKOYRXUKQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.06
Rot. Bonds3

About N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide

N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide (PubChem CID 145299410) has the molecular formula C29H21N5 and a molecular weight of 439.52 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide
PubChem CID145299410
Molecular FormulaC29H21N5
Molecular Weight439.52 g/mol
Exact Mass439.18
IUPAC NameN'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/N=C(\N)c1cccc(-n2c3ccccc3c3c4ccccc4ccc32)n1)c1ccccc1
InChIInChI=1S/C29H21N5/c30-28(20-10-2-1-3-11-20)33-29(31)23-14-8-16-26(32-23)34-24-15-7-6-13-22(24)27-21-12-5-4-9-19(21)17-18-25(27)34/h1-18H,(H3,30,31,33)
InChIKeyMUVLUJKOYRXUKQ-UHFFFAOYSA-N
XLogP6.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.06
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-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054
N'-(benzenecarboximidoyl)-2-carbazol-9-ylbenzenecarboximidamide
CID 142318949
N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide
CID 142318992
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
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-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 58038361
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135
6-(5,9-diphenylbenzo[c]carbazol-7-yl)pyridine-2-carboximidamide
CID 145299518
N-[amino(phenyl)methylidene]-1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)naphthalene-2-carboximidamide
CID 166656564
benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
CID 145303508
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole
CID 70836995
N'-(benzenecarboximidoyl)-2-[4-naphthalen-1-yl-6-[(E)-pent-2-en-3-yl]pyrimidin-2-yl]naphthalene-1-carboximidamide
CID 166656838

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide?
The IUPAC name of N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide (CID 145299410) is N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide.
What is the SMILES notation for N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide?
The canonical SMILES for N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide is [H]/N=C(/N=C(\N)c1cccc(-n2c3ccccc3c3c4ccccc4ccc32)n1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide?
The InChIKey is MUVLUJKOYRXUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5/c30-28(20-10-2-1-3-11-20)33-29(31)23-14-8-16-26(32-23)34-24-15-7-6-13-22(24)27-21-12-5-4-9-19(21)17-18-25(27)34/h1-18H,(H3,30,31,33).
What are the key properties of N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide?
N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide has a molecular weight of 439.52 g/mol, XLogP of 6.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide is sourced from PubChem (CID 145299410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).