N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide

C58H54N4 — CID 126598785

IUPACN-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C(\C)n1c2cc3c(cc2c2cc4c(cc21)C(C)(C)C(C)(C)C4(C)C)-c1ccccc1C3(C)C)c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C58H54N4/c1-36(60-54(39-25-17-12-18-26-39)61-53(59)42-30-40(37-21-13-10-14-22-37)29-41(31-42)38-23-15-11-16-24-38)62-51-34-48-44(43-27-19-20-28-47(43)55(48,2)3)32-45(51)46-33-49-50(35-52(46)62)57(6,7)58(8,9)56(49,4)5/h10-35,59H,1-9H3/b59-53+,60-36+,61-54+
InChIKeyDBXOGICBUIYNIV-ANBUENJKSA-N
MW807.10 g/mol
LogP14.77
Rot. Bonds4

About N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide

N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide (PubChem CID 126598785) has the molecular formula C58H54N4 and a molecular weight of 807.10 g/mol. Its IUPAC name is N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
PubChem CID126598785
Molecular FormulaC58H54N4
Molecular Weight807.10 g/mol
Exact Mass806.43
IUPAC NameN-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C(\C)n1c2cc3c(cc2c2cc4c(cc21)C(C)(C)C(C)(C)C4(C)C)-c1ccccc1C3(C)C)c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C58H54N4/c1-36(60-54(39-25-17-12-18-26-39)61-53(59)42-30-40(37-21-13-10-14-22-37)29-41(31-42)38-23-15-11-16-24-38)62-51-34-48-44(43-27-19-20-28-47(43)55(48,2)3)32-45(51)46-33-49-50(35-52(46)62)57(6,7)58(8,9)56(49,4)5/h10-35,59H,1-9H3/b59-53+,60-36+,61-54+
InChIKeyDBXOGICBUIYNIV-ANBUENJKSA-N
XLogP14.77
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.10
LogP ≤ 514.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide with MolForge

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Related Compounds

N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
CID 145110773
9,9-dimethyl-N-[phenyl-[[3-(20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaen-10-yl)phenyl]methylideneamino]methylidene]fluorene-2-carboximidamide
CID 163506399
N-[(1Z)-1-(9,9-dimethylfluoren-2-yl)-3-phenylbuta-1,3-dienyl]-1-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)ethanimine
CID 144564945
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
N-[(E)-3-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-1-(3,5-diphenylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 176835010
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide
CID 154035967
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598837
N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide
CID 170536719
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
N-[(E)-3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-1-(4-naphthalen-2-ylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 176834951

Frequently Asked Questions

What is the IUPAC name of N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
The IUPAC name of N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide (CID 126598785) is N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide.
What is the SMILES notation for N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
The canonical SMILES for N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide is [H]/N=C(/N=C(/N=C(\C)n1c2cc3c(cc2c2cc4c(cc21)C(C)(C)C(C)(C)C4(C)C)-c1ccccc1C3(C)C)c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
The InChIKey is DBXOGICBUIYNIV-ANBUENJKSA-N. The full InChI is InChI=1S/C58H54N4/c1-36(60-54(39-25-17-12-18-26-39)61-53(59)42-30-40(37-21-13-10-14-22-37)29-41(31-42)38-23-15-11-16-24-38)62-51-34-48-44(43-27-19-20-28-47(43)55(48,2)3)32-45(51)46-33-49-50(35-52(46)62)57(6,7)58(8,9)56(49,4)5/h10-35,59H,1-9H3/b59-53+,60-36+,61-54+.
What are the key properties of N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide?
N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide has a molecular weight of 807.10 g/mol, XLogP of 14.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaen-14-yl)ethylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide is sourced from PubChem (CID 126598785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).