2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine

C30H27N5 — CID 57365032

IUPAC2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine
SMILESNC1=C(c2ccccc2)C(N)(/N=N/c2ccccc2)C(c2ccccc2)C(N)=C1c1ccccc1
InChIInChI=1S/C30H27N5/c31-28-25(21-13-5-1-6-14-21)29(32)27(23-17-9-3-10-18-23)30(33,26(28)22-15-7-2-8-16-22)35-34-24-19-11-4-12-20-24/h1-20,26H,31-33H2/b35-34+
InChIKeyQBZKGKOOPFVMQG-XAHDOWKMSA-N
MW457.58 g/mol
LogP5.96
Rot. Bonds5

About 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine

2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine (PubChem CID 57365032) has the molecular formula C30H27N5 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine.

Molecular Properties

Compound Name2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine
PubChem CID57365032
Molecular FormulaC30H27N5
Molecular Weight457.58 g/mol
Exact Mass457.23
IUPAC Name2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine
SMILESNC1=C(c2ccccc2)C(N)(/N=N/c2ccccc2)C(c2ccccc2)C(N)=C1c1ccccc1
InChIInChI=1S/C30H27N5/c31-28-25(21-13-5-1-6-14-21)29(32)27(23-17-9-3-10-18-23)30(33,26(28)22-15-7-2-8-16-22)35-34-24-19-11-4-12-20-24/h1-20,26H,31-33H2/b35-34+
InChIKeyQBZKGKOOPFVMQG-XAHDOWKMSA-N
XLogP5.96
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine?
The IUPAC name of 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine (CID 57365032) is 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine.
What is the SMILES notation for 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine?
The canonical SMILES for 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine is NC1=C(c2ccccc2)C(N)(/N=N/c2ccccc2)C(c2ccccc2)C(N)=C1c1ccccc1.
What is the InChIKey of 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine?
The InChIKey is QBZKGKOOPFVMQG-XAHDOWKMSA-N. The full InChI is InChI=1S/C30H27N5/c31-28-25(21-13-5-1-6-14-21)29(32)27(23-17-9-3-10-18-23)30(33,26(28)22-15-7-2-8-16-22)35-34-24-19-11-4-12-20-24/h1-20,26H,31-33H2/b35-34+.
What are the key properties of 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine?
2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine has a molecular weight of 457.58 g/mol, XLogP of 5.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-5-phenyldiazenylcyclohexa-1,3-diene-1,3,5-triamine is sourced from PubChem (CID 57365032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).