N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine

C34H24N4 — CID 101466894

IUPACN-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine
SMILESC(=N/c1ccc2cccccc1-2)\c1ccc(/N=N/c2ccc(/C=N/c3ccc4cccccc3-4)cc2)cc1
InChIInChI=1S/C34H24N4/c1-3-7-27-15-21-33(31(27)9-5-1)35-23-25-11-17-29(18-12-25)37-38-30-19-13-26(14-20-30)24-36-34-22-16-28-8-4-2-6-10-32(28)34/h1-24H/b35-23+,36-24+,38-37+
InChIKeyLMYBQBHRRAKLKF-RBELEKHWSA-N
MW488.59 g/mol
LogP9.81
Rot. Bonds6

About N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine

N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine (PubChem CID 101466894) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine.

Molecular Properties

Compound NameN-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine
PubChem CID101466894
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC NameN-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine
SMILESC(=N/c1ccc2cccccc1-2)\c1ccc(/N=N/c2ccc(/C=N/c3ccc4cccccc3-4)cc2)cc1
InChIInChI=1S/C34H24N4/c1-3-7-27-15-21-33(31(27)9-5-1)35-23-25-11-17-29(18-12-25)37-38-30-19-13-26(14-20-30)24-36-34-22-16-28-8-4-2-6-10-32(28)34/h1-24H/b35-23+,36-24+,38-37+
InChIKeyLMYBQBHRRAKLKF-RBELEKHWSA-N
XLogP9.81
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine?
The IUPAC name of N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine (CID 101466894) is N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine.
What is the SMILES notation for N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine?
The canonical SMILES for N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine is C(=N/c1ccc2cccccc1-2)\c1ccc(/N=N/c2ccc(/C=N/c3ccc4cccccc3-4)cc2)cc1.
What is the InChIKey of N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine?
The InChIKey is LMYBQBHRRAKLKF-RBELEKHWSA-N. The full InChI is InChI=1S/C34H24N4/c1-3-7-27-15-21-33(31(27)9-5-1)35-23-25-11-17-29(18-12-25)37-38-30-19-13-26(14-20-30)24-36-34-22-16-28-8-4-2-6-10-32(28)34/h1-24H/b35-23+,36-24+,38-37+.
What are the key properties of N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine?
N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine has a molecular weight of 488.59 g/mol, XLogP of 9.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-azulen-1-yl-1-[4-[[4-(azulen-1-yliminomethyl)phenyl]diazenyl]phenyl]methanimine is sourced from PubChem (CID 101466894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).