[2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene

C22H18N2 — CID 158349851

IUPAC[2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene
SMILESCc1ccc(C2=C(/N=N/c3ccccc3)c3ccccc3C2)cc1
InChIInChI=1S/C22H18N2/c1-16-11-13-17(14-12-16)21-15-18-7-5-6-10-20(18)22(21)24-23-19-8-3-2-4-9-19/h2-14H,15H2,1H3/b24-23+
InChIKeyZGSKOXAOFNXFIV-WCWDXBQESA-N
MW310.40 g/mol
LogP6.20
Rot. Bonds3

About [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene

[2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene (PubChem CID 158349851) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene.

Molecular Properties

Compound Name[2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene
PubChem CID158349851
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name[2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene
SMILESCc1ccc(C2=C(/N=N/c3ccccc3)c3ccccc3C2)cc1
InChIInChI=1S/C22H18N2/c1-16-11-13-17(14-12-16)21-15-18-7-5-6-10-20(18)22(21)24-23-19-8-3-2-4-9-19/h2-14H,15H2,1H3/b24-23+
InChIKeyZGSKOXAOFNXFIV-WCWDXBQESA-N
XLogP6.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.20
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
phenyl-[4-(2-phenylphenyl)phenyl]diazene
CID 168866136
2-(4-methylphenyl)-3-octyl-1H-indene
CID 21095685
6-methyl-2,3-diphenyl-1H-indene
CID 102161513
bis(4-methylphenyl)diazene
CID 10389
3-chloro-2-phenyl-1H-indene
CID 173084550
ethane;9H-fluorene;naphthalene;toluene
CID 160674058
9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene
CID 58836092
bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 173262949
ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 123798005
diphenyldiazene;hydrofluoride
CID 174857584
trimethyl-[6-methyl-5-(4-methylphenyl)-11H-benzo[b]fluoren-10-yl]silane
CID 71566789

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene?
The IUPAC name of [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene (CID 158349851) is [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene.
What is the SMILES notation for [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene?
The canonical SMILES for [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene is Cc1ccc(C2=C(/N=N/c3ccccc3)c3ccccc3C2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene?
The InChIKey is ZGSKOXAOFNXFIV-WCWDXBQESA-N. The full InChI is InChI=1S/C22H18N2/c1-16-11-13-17(14-12-16)21-15-18-7-5-6-10-20(18)22(21)24-23-19-8-3-2-4-9-19/h2-14H,15H2,1H3/b24-23+.
What are the key properties of [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene?
[2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene has a molecular weight of 310.40 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-3H-inden-1-yl]-phenyldiazene is sourced from PubChem (CID 158349851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).