phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene

C26H26N2 — CID 90993148

IUPACphenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene
SMILESCC1=C(C)C(C)C(c2ccc3ccccc3c2C/N=N/c2ccccc2)=C1C
InChIInChI=1S/C26H26N2/c1-17-18(2)20(4)26(19(17)3)24-15-14-21-10-8-9-13-23(21)25(24)16-27-28-22-11-6-5-7-12-22/h5-15,19H,16H2,1-4H3/b28-27+
InChIKeyPIAQHCKTVMDZID-BYYHNAKLSA-N
MW366.51 g/mol
LogP7.88
Rot. Bonds4

About phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene

phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene (PubChem CID 90993148) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene.

Molecular Properties

Compound Namephenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene
PubChem CID90993148
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Namephenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene
SMILESCC1=C(C)C(C)C(c2ccc3ccccc3c2C/N=N/c2ccccc2)=C1C
InChIInChI=1S/C26H26N2/c1-17-18(2)20(4)26(19(17)3)24-15-14-21-10-8-9-13-23(21)25(24)16-27-28-22-11-6-5-7-12-22/h5-15,19H,16H2,1-4H3/b28-27+
InChIKeyPIAQHCKTVMDZID-BYYHNAKLSA-N
XLogP7.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 57.88
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'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene?
The IUPAC name of phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene (CID 90993148) is phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene.
What is the SMILES notation for phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene?
The canonical SMILES for phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene is CC1=C(C)C(C)C(c2ccc3ccccc3c2C/N=N/c2ccccc2)=C1C.
What is the InChIKey of phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene?
The InChIKey is PIAQHCKTVMDZID-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H26N2/c1-17-18(2)20(4)26(19(17)3)24-15-14-21-10-8-9-13-23(21)25(24)16-27-28-22-11-6-5-7-12-22/h5-15,19H,16H2,1-4H3/b28-27+.
What are the key properties of phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene?
phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene has a molecular weight of 366.51 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]diazene is sourced from PubChem (CID 90993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).