N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide

C34H25N5 — CID 144777356

IUPACN-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H25N5/c35-33(24-12-4-1-5-13-24)36-34(25-14-6-2-7-15-25)37-39-31-19-11-10-18-27(31)28-20-21-30-29(32(28)39)22-23-38(30)26-16-8-3-9-17-26/h1-23H,(H2,35,36,37)
InChIKeyOZDSIWSZOLESTA-UHFFFAOYSA-N
MW503.61 g/mol
LogP7.75
Rot. Bonds4

About N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide

N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide (PubChem CID 144777356) has the molecular formula C34H25N5 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide
PubChem CID144777356
Molecular FormulaC34H25N5
Molecular Weight503.61 g/mol
Exact Mass503.21
IUPAC NameN-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H25N5/c35-33(24-12-4-1-5-13-24)36-34(25-14-6-2-7-15-25)37-39-31-19-11-10-18-27(31)28-20-21-30-29(32(28)39)22-23-38(30)26-16-8-3-9-17-26/h1-23H,(H2,35,36,37)
InChIKeyOZDSIWSZOLESTA-UHFFFAOYSA-N
XLogP7.75
TPSA58.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 57.75
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-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
CID 144925903
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
N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide
CID 138698690
N-[(30-oxa-3-azaheptacyclo[15.13.0.02,10.04,9.011,16.018,23.024,29]triaconta-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26,28-tetradecaen-3-ylamino)-phenylmethylidene]benzenecarboximidamide
CID 145258710
N-[(18,21-dithia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-9-ylamino)-phenylmethylidene]-3-phenylbenzenecarboximidamide
CID 144876662
N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide
CID 126652713
4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-N-[3-(4-pyrimidin-2-ylphenyl)-1H-pyridin-2-ylidene]benzenecarboximidamide
CID 144645499
N-[amino(phenyl)methylidene]-9,9-dimethyl-7-(7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaen-20-yl)fluorene-2-carboximidamide
CID 144645258
N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide
CID 174035465
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
N'-(benzenecarboximidoyl)-4-phenyl-N-(3-phenyl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)benzenecarboximidamide
CID 145327062
3-phenyl-10-[6-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
CID 90090906

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide?
The IUPAC name of N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide (CID 144777356) is N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide.
What is the SMILES notation for N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide?
The canonical SMILES for N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide is [H]/N=C(/N=C(/Nn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide?
The InChIKey is OZDSIWSZOLESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N5/c35-33(24-12-4-1-5-13-24)36-34(25-14-6-2-7-15-25)37-39-31-19-11-10-18-27(31)28-20-21-30-29(32(28)39)22-23-38(30)26-16-8-3-9-17-26/h1-23H,(H2,35,36,37).
What are the key properties of N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide?
N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide has a molecular weight of 503.61 g/mol, XLogP of 7.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide is sourced from PubChem (CID 144777356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).