(2-pentylphenyl)-phenyldiazene

C17H20N2 — CID 90460821

IUPAC(2-pentylphenyl)-phenyldiazene
SMILESCCCCCc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C17H20N2/c1-2-3-5-10-15-11-8-9-14-17(15)19-18-16-12-6-4-7-13-16/h4,6-9,11-14H,2-3,5,10H2,1H3/b19-18+
InChIKeyQXCQDFIVJBXXKE-VHEBQXMUSA-N
MW252.36 g/mol
LogP5.83
Rot. Bonds6

About (2-pentylphenyl)-phenyldiazene

(2-pentylphenyl)-phenyldiazene (PubChem CID 90460821) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-pentylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(2-pentylphenyl)-phenyldiazene
PubChem CID90460821
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(2-pentylphenyl)-phenyldiazene
SMILESCCCCCc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C17H20N2/c1-2-3-5-10-15-11-8-9-14-17(15)19-18-16-12-6-4-7-13-16/h4,6-9,11-14H,2-3,5,10H2,1H3/b19-18+
InChIKeyQXCQDFIVJBXXKE-VHEBQXMUSA-N
XLogP5.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-decyl-2-isocyanatobenzene
CID 22218784
1,2-dihexylbenzene;hydrate
CID 172833093
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
1-methyl-2-pentylbenzene
CID 524553
1-ethyl-2-henicosylbenzene
CID 141174443
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882

Frequently Asked Questions

What is the IUPAC name of (2-pentylphenyl)-phenyldiazene?
The IUPAC name of (2-pentylphenyl)-phenyldiazene (CID 90460821) is (2-pentylphenyl)-phenyldiazene.
What is the SMILES notation for (2-pentylphenyl)-phenyldiazene?
The canonical SMILES for (2-pentylphenyl)-phenyldiazene is CCCCCc1ccccc1/N=N/c1ccccc1.
What is the InChIKey of (2-pentylphenyl)-phenyldiazene?
The InChIKey is QXCQDFIVJBXXKE-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-3-5-10-15-11-8-9-14-17(15)19-18-16-12-6-4-7-13-16/h4,6-9,11-14H,2-3,5,10H2,1H3/b19-18+.
What are the key properties of (2-pentylphenyl)-phenyldiazene?
(2-pentylphenyl)-phenyldiazene has a molecular weight of 252.36 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylphenyl)-phenyldiazene is sourced from PubChem (CID 90460821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).