[9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene

C28H25N5 — CID 91536461

IUPAC[9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene
SMILESCCn1c2ccc(C/N=N/c3ccccc3)cc2c2cc(C/N=N/c3ccccc3)ccc21
InChIInChI=1S/C28H25N5/c1-2-33-27-15-13-21(19-29-31-23-9-5-3-6-10-23)17-25(27)26-18-22(14-16-28(26)33)20-30-32-24-11-7-4-8-12-24/h3-18H,2,19-20H2,1H3/b31-29+,32-30+
InChIKeyVEUFVLZWAWWXDE-JWTBXLROSA-N
MW431.54 g/mol
LogP8.38
Rot. Bonds7

About [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene

[9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene (PubChem CID 91536461) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene.

Molecular Properties

Compound Name[9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene
PubChem CID91536461
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC Name[9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene
SMILESCCn1c2ccc(C/N=N/c3ccccc3)cc2c2cc(C/N=N/c3ccccc3)ccc21
InChIInChI=1S/C28H25N5/c1-2-33-27-15-13-21(19-29-31-23-9-5-3-6-10-23)17-25(27)26-18-22(14-16-28(26)33)20-30-32-24-11-7-4-8-12-24/h3-18H,2,19-20H2,1H3/b31-29+,32-30+
InChIKeyVEUFVLZWAWWXDE-JWTBXLROSA-N
XLogP8.38
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene
CID 102003248
(4-methylphenyl)methyl-phenyldiazene
CID 13049562
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
CID 159856666
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
CID 7092357

Frequently Asked Questions

What is the IUPAC name of [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene?
The IUPAC name of [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene (CID 91536461) is [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene.
What is the SMILES notation for [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene?
The canonical SMILES for [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene is CCn1c2ccc(C/N=N/c3ccccc3)cc2c2cc(C/N=N/c3ccccc3)ccc21.
What is the InChIKey of [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene?
The InChIKey is VEUFVLZWAWWXDE-JWTBXLROSA-N. The full InChI is InChI=1S/C28H25N5/c1-2-33-27-15-13-21(19-29-31-23-9-5-3-6-10-23)17-25(27)26-18-22(14-16-28(26)33)20-30-32-24-11-7-4-8-12-24/h3-18H,2,19-20H2,1H3/b31-29+,32-30+.
What are the key properties of [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene?
[9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene has a molecular weight of 431.54 g/mol, XLogP of 8.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene is sourced from PubChem (CID 91536461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).