benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine

C52H41N5O — CID 162363460

IUPACbenzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine
SMILESC=NCc1cc(-c2ccccc2)c2c(c1)oc1ccccc12.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C25H18N2.C20H15NO.C7H8N2/c1-26-22-13-7-5-11-18(22)20-16-25-21(15-24(20)26)19-12-6-8-14-23(19)27(25)17-9-3-2-4-10-17;1-21-13-14-11-17(15-7-3-2-4-8-15)20-16-9-5-6-10-18(16)22-19(20)12-14;8-7(9)6-4-2-1-3-5-6/h2-16H,1H3;2-12H,1,13H2;1-5H,(H3,8,9)
InChIKeyLBRIFOQCQFOUGM-UHFFFAOYSA-N
MW751.93 g/mol
LogP12.85
Rot. Bonds5

About benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine

benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine (PubChem CID 162363460) has the molecular formula C52H41N5O and a molecular weight of 751.93 g/mol. Its IUPAC name is benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine.

Molecular Properties

Compound Namebenzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine
PubChem CID162363460
Molecular FormulaC52H41N5O
Molecular Weight751.93 g/mol
Exact Mass751.33
IUPAC Namebenzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine
SMILESC=NCc1cc(-c2ccccc2)c2c(c1)oc1ccccc12.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C25H18N2.C20H15NO.C7H8N2/c1-26-22-13-7-5-11-18(22)20-16-25-21(15-24(20)26)19-12-6-8-14-23(19)27(25)17-9-3-2-4-10-17;1-21-13-14-11-17(15-7-3-2-4-8-15)20-16-9-5-6-10-18(16)22-19(20)12-14;8-7(9)6-4-2-1-3-5-6/h2-16H,1H3;2-12H,1,13H2;1-5H,(H3,8,9)
InChIKeyLBRIFOQCQFOUGM-UHFFFAOYSA-N
XLogP12.85
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 512.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
5-methyl-1,11-diphenylindolo[3,2-b]carbazole
CID 176615313
3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole
CID 163907956
3-[2-amino-3-(N-benzylanilino)-1-phenylpyrrolo[2,3-b]carbazol-9-yl]benzenecarboximidamide
CID 144646003
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole
CID 163749487
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938682
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
1,3-bis(9-phenylcarbazol-2-yl)dibenzofuran-2-ol
CID 148926783
2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201075

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine?
The IUPAC name of benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine (CID 162363460) is benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine.
What is the SMILES notation for benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine?
The canonical SMILES for benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine is C=NCc1cc(-c2ccccc2)c2c(c1)oc1ccccc12.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine?
The InChIKey is LBRIFOQCQFOUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2.C20H15NO.C7H8N2/c1-26-22-13-7-5-11-18(22)20-16-25-21(15-24(20)26)19-12-6-8-14-23(19)27(25)17-9-3-2-4-10-17;1-21-13-14-11-17(15-7-3-2-4-8-15)20-16-9-5-6-10-18(16)22-19(20)12-14;8-7(9)6-4-2-1-3-5-6/h2-16H,1H3;2-12H,1,13H2;1-5H,(H3,8,9).
What are the key properties of benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine?
benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine has a molecular weight of 751.93 g/mol, XLogP of 12.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine is sourced from PubChem (CID 162363460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).