benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene

C52H43N5 — CID 144914970

IUPACbenzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene
SMILESC=NCc1ccccc1.Cc1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2N(c2ccccc2)c2ccccc2-4)c1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C37H26N2.C8H9N.C7H8N2/c1-25-12-11-15-27(24-25)39-34-21-10-7-18-31(34)37-35(39)23-22-29-28-16-5-8-19-32(28)38(26-13-3-2-4-14-26)33-20-9-6-17-30(33)36(29)37;1-9-7-8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-24H,1H3;2-6H,1,7H2;1-5H,(H3,8,9)
InChIKeyAEDCKYZYNJGYHX-UHFFFAOYSA-N
MW737.95 g/mol
LogP13.07
Rot. Bonds5

About benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene

benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene (PubChem CID 144914970) has the molecular formula C52H43N5 and a molecular weight of 737.95 g/mol. Its IUPAC name is benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene.

Molecular Properties

Compound Namebenzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene
PubChem CID144914970
Molecular FormulaC52H43N5
Molecular Weight737.95 g/mol
Exact Mass737.35
IUPAC Namebenzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene
SMILESC=NCc1ccccc1.Cc1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2N(c2ccccc2)c2ccccc2-4)c1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C37H26N2.C8H9N.C7H8N2/c1-25-12-11-15-27(24-25)39-34-21-10-7-18-31(34)37-35(39)23-22-29-28-16-5-8-19-32(28)38(26-13-3-2-4-14-26)33-20-9-6-17-30(33)36(29)37;1-9-7-8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-24H,1H3;2-6H,1,7H2;1-5H,(H3,8,9)
InChIKeyAEDCKYZYNJGYHX-UHFFFAOYSA-N
XLogP13.07
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 513.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene with MolForge

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Related Compounds

benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
CID 145303508
benzenecarboximidamide;5-methyl-11-phenylindolo[3,2-b]carbazole;N-[(1-phenyldibenzofuran-3-yl)methyl]methanimine
CID 162363460
9-phenylcarbazole-4-carboximidamide
CID 142504972
benzenecarboximidamide;2'-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];toluene
CID 145303466
9-(3-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-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 126501118
benzenecarboximidamide;[3-[5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]quinolin-4-yl]phenyl]methanamine;toluene
CID 142622060
benzylbenzene;4-methyldibenzofuran;9-phenylcarbazole-4-carboximidamide
CID 142504971
10-(5-phenylbenzo[b]carbazol-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118565077
3-[2-amino-3-(N-benzylanilino)-1-phenylpyrrolo[2,3-b]carbazol-9-yl]benzenecarboximidamide
CID 144646003
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 145268808
3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 146182046
ethane;9-(3-methylphenyl)carbazole
CID 143904684

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene?
The IUPAC name of benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene (CID 144914970) is benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene.
What is the SMILES notation for benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene?
The canonical SMILES for benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene is C=NCc1ccccc1.Cc1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2N(c2ccccc2)c2ccccc2-4)c1.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene?
The InChIKey is AEDCKYZYNJGYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2.C8H9N.C7H8N2/c1-25-12-11-15-27(24-25)39-34-21-10-7-18-31(34)37-35(39)23-22-29-28-16-5-8-19-32(28)38(26-13-3-2-4-14-26)33-20-9-6-17-30(33)36(29)37;1-9-7-8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-24H,1H3;2-6H,1,7H2;1-5H,(H3,8,9).
What are the key properties of benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene?
benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene has a molecular weight of 737.95 g/mol, XLogP of 13.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;N-benzylmethanimine;23-(3-methylphenyl)-8-phenyl-8,23-diazahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaene is sourced from PubChem (CID 144914970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).