acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene

C37H55N5 — CID 142938767

IUPACacetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene
SMILESC#C.C/C=C\C/C=C(/C)CC.CC.CC.[H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2C/C(C)=C(\C=C/C)CC
InChIInChI=1S/C22H25N5.C9H16.2C2H6.C2H2/c1-4-8-16(5-2)15(3)14-27-20-10-7-6-9-18(20)19-13-17(11-12-21(19)27)22(23)25-26-24;1-4-6-7-8-9(3)5-2;3*1-2/h4,6-13H,5,14H2,1-3H3,(H3,23,24,25);4,6,8H,5,7H2,1-3H3;2*1-2H3;1-2H/b8-4-,16-15-;6-4-,9-8-;;;
InChIKeyWULAQXCNRQGKPL-GKBVNHRWSA-N
MW569.88 g/mol
LogP11.36
Rot. Bonds8

About acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene

acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene (PubChem CID 142938767) has the molecular formula C37H55N5 and a molecular weight of 569.88 g/mol. Its IUPAC name is acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene.

Molecular Properties

Compound Nameacetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene
PubChem CID142938767
Molecular FormulaC37H55N5
Molecular Weight569.88 g/mol
Exact Mass569.45
IUPAC Nameacetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene
SMILESC#C.C/C=C\C/C=C(/C)CC.CC.CC.[H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2C/C(C)=C(\C=C/C)CC
InChIInChI=1S/C22H25N5.C9H16.2C2H6.C2H2/c1-4-8-16(5-2)15(3)14-27-20-10-7-6-9-18(20)19-13-17(11-12-21(19)27)22(23)25-26-24;1-4-6-7-8-9(3)5-2;3*1-2/h4,6-13H,5,14H2,1-3H3,(H3,23,24,25);4,6,8H,5,7H2,1-3H3;2*1-2H3;1-2H/b8-4-,16-15-;6-4-,9-8-;;;
InChIKeyWULAQXCNRQGKPL-GKBVNHRWSA-N
XLogP11.36
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.88
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene with MolForge

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Related Compounds

9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
4-ethyl-N-hydrazinylidenebenzenecarboximidamide
CID 89361259
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
1-N,4-N-dihydrazinylidenebenzene-1,4-dicarboximidamide
CID 167095813
3-amino-N-hydrazinylidenebenzenecarboximidamide
CID 123350949
[(aminodiazenyl)-[9-[(2,4,6-trimethylphenyl)methyl]carbazol-3-yl]methylidene]azanium
CID 142938701
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
9-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 163863733
(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one
CID 102199280

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene?
The IUPAC name of acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene (CID 142938767) is acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene.
What is the SMILES notation for acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene?
The canonical SMILES for acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene is C#C.C/C=C\C/C=C(/C)CC.CC.CC.[H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2C/C(C)=C(\C=C/C)CC.
What is the InChIKey of acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene?
The InChIKey is WULAQXCNRQGKPL-GKBVNHRWSA-N. The full InChI is InChI=1S/C22H25N5.C9H16.2C2H6.C2H2/c1-4-8-16(5-2)15(3)14-27-20-10-7-6-9-18(20)19-13-17(11-12-21(19)27)22(23)25-26-24;1-4-6-7-8-9(3)5-2;3*1-2/h4,6-13H,5,14H2,1-3H3,(H3,23,24,25);4,6,8H,5,7H2,1-3H3;2*1-2H3;1-2H/b8-4-,16-15-;6-4-,9-8-;;;.
What are the key properties of acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene?
acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene has a molecular weight of 569.88 g/mol, XLogP of 11.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene is sourced from PubChem (CID 142938767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).