[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene

C30H29N3O2 — CID 141047377

IUPAC[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
SMILESCC(C)(c1ccccc1)c1cc(/N=N/c2ccccc2[N+](=O)[O-])cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H29N3O2/c1-29(2,22-13-7-5-8-14-22)24-19-25(30(3,4)23-15-9-6-10-16-23)21-26(20-24)31-32-27-17-11-12-18-28(27)33(34)35/h5-21H,1-4H3/b32-31+
InChIKeyJFLFAYSQJSIJKY-QNEJGDQOSA-N
MW463.58 g/mol
LogP8.66
Rot. Bonds7

About [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene

[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene (PubChem CID 141047377) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene.

Molecular Properties

Compound Name[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
PubChem CID141047377
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
SMILESCC(C)(c1ccccc1)c1cc(/N=N/c2ccccc2[N+](=O)[O-])cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H29N3O2/c1-29(2,22-13-7-5-8-14-22)24-19-25(30(3,4)23-15-9-6-10-16-23)21-26(20-24)31-32-27-17-11-12-18-28(27)33(34)35/h5-21H,1-4H3/b32-31+
InChIKeyJFLFAYSQJSIJKY-QNEJGDQOSA-N
XLogP8.66
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[4-acetyloxy-3,5-bis[(2-nitrophenyl)diazenyl]phenyl]propan-2-yl]-2,6-bis[(2-nitrophenyl)diazenyl]phenyl] acetate
CID 165342789
2-[(2-nitrophenyl)diazenyl]-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 135508499
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
2-[(4-benzyl-2-nitrophenyl)diazenyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 135708769
(2-nitrophenyl)-(2-nitropropan-2-yl)diazene
CID 15025181
2-[[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenyl]diazenyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 135980878
[2-(2-nitrophenyl)phenyl]-phenyldiazene
CID 15701872
chloro-(2-nitrophenyl)diazene
CID 13403227
N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline
CID 164794986
2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride
CID 14204964
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene?
The IUPAC name of [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene (CID 141047377) is [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene.
What is the SMILES notation for [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene?
The canonical SMILES for [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene is CC(C)(c1ccccc1)c1cc(/N=N/c2ccccc2[N+](=O)[O-])cc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene?
The InChIKey is JFLFAYSQJSIJKY-QNEJGDQOSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-29(2,22-13-7-5-8-14-22)24-19-25(30(3,4)23-15-9-6-10-16-23)21-26(20-24)31-32-27-17-11-12-18-28(27)33(34)35/h5-21H,1-4H3/b32-31+.
What are the key properties of [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene?
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene has a molecular weight of 463.58 g/mol, XLogP of 8.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene is sourced from PubChem (CID 141047377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).