di(triphenylen-1-yl)diazene

C36H22N2 — CID 170838460

IUPACdi(triphenylen-1-yl)diazene
SMILESc1ccc2c(c1)c1ccccc1c1c(/N=N/c3cccc4c5ccccc5c5ccccc5c34)cccc21
InChIInChI=1S/C36H22N2/c1-3-13-27-23(11-1)25-15-5-7-17-29(25)35-31(27)19-9-21-33(35)37-38-34-22-10-20-32-28-14-4-2-12-24(28)26-16-6-8-18-30(26)36(32)34/h1-22H/b38-37+
InChIKeyKBOCJZTYJCTEOL-HEFFKOSUSA-N
MW482.59 g/mol
LogP11.02
Rot. Bonds2

About di(triphenylen-1-yl)diazene

di(triphenylen-1-yl)diazene (PubChem CID 170838460) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is di(triphenylen-1-yl)diazene.

Molecular Properties

Compound Namedi(triphenylen-1-yl)diazene
PubChem CID170838460
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Namedi(triphenylen-1-yl)diazene
SMILESc1ccc2c(c1)c1ccccc1c1c(/N=N/c3cccc4c5ccccc5c5ccccc5c34)cccc21
InChIInChI=1S/C36H22N2/c1-3-13-27-23(11-1)25-15-5-7-17-29(25)35-31(27)19-9-21-33(35)37-38-34-22-10-20-32-28-14-4-2-12-24(28)26-16-6-8-18-30(26)36(32)34/h1-22H/b38-37+
InChIKeyKBOCJZTYJCTEOL-HEFFKOSUSA-N
XLogP11.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of di(triphenylen-1-yl)diazene?
The IUPAC name of di(triphenylen-1-yl)diazene (CID 170838460) is di(triphenylen-1-yl)diazene.
What is the SMILES notation for di(triphenylen-1-yl)diazene?
The canonical SMILES for di(triphenylen-1-yl)diazene is c1ccc2c(c1)c1ccccc1c1c(/N=N/c3cccc4c5ccccc5c5ccccc5c34)cccc21.
What is the InChIKey of di(triphenylen-1-yl)diazene?
The InChIKey is KBOCJZTYJCTEOL-HEFFKOSUSA-N. The full InChI is InChI=1S/C36H22N2/c1-3-13-27-23(11-1)25-15-5-7-17-29(25)35-31(27)19-9-21-33(35)37-38-34-22-10-20-32-28-14-4-2-12-24(28)26-16-6-8-18-30(26)36(32)34/h1-22H/b38-37+.
What are the key properties of di(triphenylen-1-yl)diazene?
di(triphenylen-1-yl)diazene has a molecular weight of 482.59 g/mol, XLogP of 11.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(triphenylen-1-yl)diazene is sourced from PubChem (CID 170838460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).