N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide

C39H31N5 — CID 138698690

IUPACN-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2c(c3ccc4c5ccccc5n(-c5ccccc5)c4c31)C=CC(C)C2)c1ccccc1)c1ccccc1
InChIInChI=1S/C39H31N5/c1-26-21-22-31-33-24-23-32-30-19-11-12-20-34(30)43(29-17-9-4-10-18-29)36(32)37(33)44(35(31)25-26)42-39(28-15-7-3-8-16-28)41-38(40)27-13-5-2-6-14-27/h2-24,26H,25H2,1H3,(H2,40,41,42)
InChIKeyGPNMYFPHIVMONJ-UHFFFAOYSA-N
MW569.71 g/mol
LogP8.96
Rot. Bonds4

About N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide

N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide (PubChem CID 138698690) has the molecular formula C39H31N5 and a molecular weight of 569.71 g/mol. Its IUPAC name is N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide
PubChem CID138698690
Molecular FormulaC39H31N5
Molecular Weight569.71 g/mol
Exact Mass569.26
IUPAC NameN-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2c(c3ccc4c5ccccc5n(-c5ccccc5)c4c31)C=CC(C)C2)c1ccccc1)c1ccccc1
InChIInChI=1S/C39H31N5/c1-26-21-22-31-33-24-23-32-30-19-11-12-20-34(30)43(29-17-9-4-10-18-29)36(32)37(33)44(35(31)25-26)42-39(28-15-7-3-8-16-28)41-38(40)27-13-5-2-6-14-27/h2-24,26H,25H2,1H3,(H2,40,41,42)
InChIKeyGPNMYFPHIVMONJ-UHFFFAOYSA-N
XLogP8.96
TPSA58.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 58.96
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-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide
CID 174035465
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,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide
CID 126652713
N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371
4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide
CID 155708100
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide
CID 156706517
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913

Frequently Asked Questions

What is the IUPAC name of N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide (CID 138698690) is N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide is [H]/N=C(/N=C(/Nn1c2c(c3ccc4c5ccccc5n(-c5ccccc5)c4c31)C=CC(C)C2)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide?
The InChIKey is GPNMYFPHIVMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N5/c1-26-21-22-31-33-24-23-32-30-19-11-12-20-34(30)43(29-17-9-4-10-18-29)36(32)37(33)44(35(31)25-26)42-39(28-15-7-3-8-16-28)41-38(40)27-13-5-2-6-14-27/h2-24,26H,25H2,1H3,(H2,40,41,42).
What are the key properties of N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide?
N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide has a molecular weight of 569.71 g/mol, XLogP of 8.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 138698690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).