[[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene

C27H24N2 — CID 57254583

IUPAC[[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene
SMILES[H]/N=N/C(c1ccccc1)c1cccc(-c2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C27H24N2/c1-19-11-15-21(16-12-19)24-9-6-10-25(26(24)22-17-13-20(2)14-18-22)27(29-28)23-7-4-3-5-8-23/h3-18,27-28H,1-2H3/b29-28+
InChIKeyOZGAKHFRAVRCFR-ZQHSETAFSA-N
MW376.50 g/mol
LogP7.76
Rot. Bonds5

About [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene

[[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene (PubChem CID 57254583) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene.

Molecular Properties

Compound Name[[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene
PubChem CID57254583
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name[[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene
SMILES[H]/N=N/C(c1ccccc1)c1cccc(-c2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C27H24N2/c1-19-11-15-21(16-12-19)24-9-6-10-25(26(24)22-17-13-20(2)14-18-22)27(29-28)23-7-4-3-5-8-23/h3-18,27-28H,1-2H3/b29-28+
InChIKeyOZGAKHFRAVRCFR-ZQHSETAFSA-N
XLogP7.76
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.76
H-Bond Donors ≤ 51
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 [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene?
The IUPAC name of [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene (CID 57254583) is [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene.
What is the SMILES notation for [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene?
The canonical SMILES for [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene is [H]/N=N/C(c1ccccc1)c1cccc(-c2ccc(C)cc2)c1-c1ccc(C)cc1.
What is the InChIKey of [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene?
The InChIKey is OZGAKHFRAVRCFR-ZQHSETAFSA-N. The full InChI is InChI=1S/C27H24N2/c1-19-11-15-21(16-12-19)24-9-6-10-25(26(24)22-17-13-20(2)14-18-22)27(29-28)23-7-4-3-5-8-23/h3-18,27-28H,1-2H3/b29-28+.
What are the key properties of [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene?
[[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene has a molecular weight of 376.50 g/mol, XLogP of 7.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,3-bis(4-methylphenyl)phenyl]-phenylmethyl]diazene is sourced from PubChem (CID 57254583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).