naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene

C42H36N8 — CID 136785341

IUPACnaphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene
SMILESC/C1=N\c2ccccc2N/C(C)=C(/N=N/c2cccc3ccccc23)C(\C)=N\c2ccccc2N/C(C)=C1/N=N/c1cccc2ccccc12
InChIInChI=1S/C42H36N8/c1-27-41(49-47-35-25-13-17-31-15-5-7-19-33(31)35)28(2)44-39-23-11-12-24-40(39)46-30(4)42(29(3)45-38-22-10-9-21-37(38)43-27)50-48-36-26-14-18-32-16-6-8-20-34(32)36/h5-26,43,46H,1-4H3/b41-27+,42-30+,44-28+,45-29+,49-47+,50-48+
InChIKeyMZNCYZGGNZKTAF-WNSFEIPNSA-N
MW652.81 g/mol
LogP12.75
Rot. Bonds4

About naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene

naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene (PubChem CID 136785341) has the molecular formula C42H36N8 and a molecular weight of 652.81 g/mol. Its IUPAC name is naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene.

Molecular Properties

Compound Namenaphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene
PubChem CID136785341
Molecular FormulaC42H36N8
Molecular Weight652.81 g/mol
Exact Mass652.31
IUPAC Namenaphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene
SMILESC/C1=N\c2ccccc2N/C(C)=C(/N=N/c2cccc3ccccc23)C(\C)=N\c2ccccc2N/C(C)=C1/N=N/c1cccc2ccccc12
InChIInChI=1S/C42H36N8/c1-27-41(49-47-35-25-13-17-31-15-5-7-19-33(31)35)28(2)44-39-23-11-12-24-40(39)46-30(4)42(29(3)45-38-22-10-9-21-37(38)43-27)50-48-36-26-14-18-32-16-6-8-20-34(32)36/h5-26,43,46H,1-4H3/b41-27+,42-30+,44-28+,45-29+,49-47+,50-48+
InChIKeyMZNCYZGGNZKTAF-WNSFEIPNSA-N
XLogP12.75
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.81
LogP ≤ 512.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene with MolForge

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Related Compounds

CID 175078571
CID 175078571
diethyl (4E,15E)-3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene-4,15-dicarboxylate
CID 11973529
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
CID 21337324
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CID 135482672
(2-bromophenyl)-naphthalen-1-yldiazene
CID 581691
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
N-naphthalen-1-yliminomethanesulfonamide
CID 166448164
[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
CID 161282982
2-(2-nitronaphthalen-1-yl)-1H-perimidine
CID 67733396
4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene?
The IUPAC name of naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene (CID 136785341) is naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene.
What is the SMILES notation for naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene?
The canonical SMILES for naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene is C/C1=N\c2ccccc2N/C(C)=C(/N=N/c2cccc3ccccc23)C(\C)=N\c2ccccc2N/C(C)=C1/N=N/c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene?
The InChIKey is MZNCYZGGNZKTAF-WNSFEIPNSA-N. The full InChI is InChI=1S/C42H36N8/c1-27-41(49-47-35-25-13-17-31-15-5-7-19-33(31)35)28(2)44-39-23-11-12-24-40(39)46-30(4)42(29(3)45-38-22-10-9-21-37(38)43-27)50-48-36-26-14-18-32-16-6-8-20-34(32)36/h5-26,43,46H,1-4H3/b41-27+,42-30+,44-28+,45-29+,49-47+,50-48+.
What are the key properties of naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene?
naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene has a molecular weight of 652.81 g/mol, XLogP of 12.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[(4E,15E)-3,5,14,16-tetramethyl-15-(naphthalen-1-yldiazenyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaen-4-yl]diazene is sourced from PubChem (CID 136785341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).