N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide

C33H25N5 — CID 174035465

IUPACN-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide
SMILES[H]/N=C(/N=C(NC)c1ccccc1)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C33H25N5/c1-35-32(22-12-4-2-5-13-22)36-33(34)38-29-19-11-9-17-25(29)27-21-20-26-24-16-8-10-18-28(24)37(30(26)31(27)38)23-14-6-3-7-15-23/h2-21H,1H3,(H2,34,35,36)
InChIKeyQWXOOPVRSPWJCS-UHFFFAOYSA-N
MW491.60 g/mol
LogP7.34
Rot. Bonds2

About N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide

N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide (PubChem CID 174035465) has the molecular formula C33H25N5 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide.

Molecular Properties

Compound NameN-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide
PubChem CID174035465
Molecular FormulaC33H25N5
Molecular Weight491.60 g/mol
Exact Mass491.21
IUPAC NameN-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide
SMILES[H]/N=C(/N=C(NC)c1ccccc1)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C33H25N5/c1-35-32(22-12-4-2-5-13-22)36-33(34)38-29-19-11-9-17-25(29)27-21-20-26-24-16-8-10-18-28(24)37(30(26)31(27)38)23-14-6-3-7-15-23/h2-21H,1H3,(H2,34,35,36)
InChIKeyQWXOOPVRSPWJCS-UHFFFAOYSA-N
XLogP7.34
TPSA58.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 57.34
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-methyl-20-oxo-16,23-diphenyl-16,19,23-triazanonacyclo[19.15.0.02,18.05,17.06,15.07,12.022,34.024,33.027,32]hexatriaconta-1(21),2(18),3,5(17),6(15),7,9,11,13,22(34),24(33),25,27,29,31,35-hexadecaene-19-carboximidamide
CID 170006404
N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide
CID 138698690
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide
CID 155708100
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
CID 144925903
N-[(benzylamino)-phenylmethylidene]-7,7-dimethyl-2-(9-phenylcarbazol-1-yl)-5a,12a-dihydroindeno[2,1-b]carbazole-5-carboximidamide
CID 137019706
(2E)-N-(1-phenylethylidene)-N'-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)ethenyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 144968022
N-methylidene-16-oxo-11,15-diphenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaene-20-carboximidamide
CID 168933434
N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 144645655

Frequently Asked Questions

What is the IUPAC name of N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide?
The IUPAC name of N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide (CID 174035465) is N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide.
What is the SMILES notation for N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide?
The canonical SMILES for N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide is [H]/N=C(/N=C(NC)c1ccccc1)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide?
The InChIKey is QWXOOPVRSPWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5/c1-35-32(22-12-4-2-5-13-22)36-33(34)38-29-19-11-9-17-25(29)27-21-20-26-24-16-8-10-18-28(24)37(30(26)31(27)38)23-14-6-3-7-15-23/h2-21H,1H3,(H2,34,35,36).
What are the key properties of N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide?
N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide has a molecular weight of 491.60 g/mol, XLogP of 7.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide is sourced from PubChem (CID 174035465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).