N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide

C56H37N5 — CID 164723928

IUPACN-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/c1ccc2cc(-c3cccc4c5ccc6c(-c7ccccc7)nc7ccccc7c6c5n(-c5ccccc5)c34)ccc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C56H37N5/c57-55(39-18-7-2-8-19-39)60-56(40-20-9-3-10-21-40)58-36-37-28-29-42-35-43(31-30-41(42)34-37)45-25-15-26-46-47-32-33-49-51(54(47)61(53(45)46)44-22-11-4-12-23-44)48-24-13-14-27-50(48)59-52(49)38-16-5-1-6-17-38/h1-36,57H/b57-55+,58-36+,60-56+
InChIKeyXLAJJYITEBZBCE-ZUAFTKIWSA-N
MW779.95 g/mol
LogP13.86
Rot. Bonds6

About N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide

N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide (PubChem CID 164723928) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide
PubChem CID164723928
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC NameN-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/c1ccc2cc(-c3cccc4c5ccc6c(-c7ccccc7)nc7ccccc7c6c5n(-c5ccccc5)c34)ccc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C56H37N5/c57-55(39-18-7-2-8-19-39)60-56(40-20-9-3-10-21-40)58-36-37-28-29-42-35-43(31-30-41(42)34-37)45-25-15-26-46-47-32-33-49-51(54(47)61(53(45)46)44-22-11-4-12-23-44)48-24-13-14-27-50(48)59-52(49)38-16-5-1-6-17-38/h1-36,57H/b57-55+,58-36+,60-56+
InChIKeyXLAJJYITEBZBCE-ZUAFTKIWSA-N
XLogP13.86
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 513.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide with MolForge

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Related Compounds

N-[[[6-(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaen-8-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide
CID 164724147
3,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723872
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723862
14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123456
2-(3,5-diphenylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-c]quinoline;N-[[[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]methylideneamino]-phenylmethylidene]benzenecarboximidamide;[5-(3,5-diphenylphenyl)-2-phenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furan-3-yl]-phenylmethanimine
CID 165069252
18-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 166584471
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
CID 167401485
7-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723983
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341
3,14-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164724143
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 147806378
3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124079

Frequently Asked Questions

What is the IUPAC name of N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide (CID 164723928) is N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide is [H]/N=C(/N=C(/N=C/c1ccc2cc(-c3cccc4c5ccc6c(-c7ccccc7)nc7ccccc7c6c5n(-c5ccccc5)c34)ccc2c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide?
The InChIKey is XLAJJYITEBZBCE-ZUAFTKIWSA-N. The full InChI is InChI=1S/C56H37N5/c57-55(39-18-7-2-8-19-39)60-56(40-20-9-3-10-21-40)58-36-37-28-29-42-35-43(31-30-41(42)34-37)45-25-15-26-46-47-32-33-49-51(54(47)61(53(45)46)44-22-11-4-12-23-44)48-24-13-14-27-50(48)59-52(49)38-16-5-1-6-17-38/h1-36,57H/b57-55+,58-36+,60-56+.
What are the key properties of N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide?
N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide has a molecular weight of 779.95 g/mol, XLogP of 13.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 164723928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).