aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine

C30H25N5 — CID 144936370

IUPACaniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine
SMILESNc1ccccc1.[H]/N=C1/C=C(N2c3ccccc3N(c3ccccc3)c3ccccc32)C=C/C1=N\[H]
InChIInChI=1S/C24H18N4.C6H7N/c25-19-15-14-18(16-20(19)26)28-23-12-6-4-10-21(23)27(17-8-2-1-3-9-17)22-11-5-7-13-24(22)28;7-6-4-2-1-3-5-6/h1-16,25-26H;1-5H,7H2/b25-19+,26-20-;
InChIKeyWVOZFTVISRZTKD-UVLXCCNKSA-N
MW455.57 g/mol
LogP7.37
Rot. Bonds2

About aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine

aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine (PubChem CID 144936370) has the molecular formula C30H25N5 and a molecular weight of 455.57 g/mol. Its IUPAC name is aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Nameaniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine
PubChem CID144936370
Molecular FormulaC30H25N5
Molecular Weight455.57 g/mol
Exact Mass455.21
IUPAC Nameaniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine
SMILESNc1ccccc1.[H]/N=C1/C=C(N2c3ccccc3N(c3ccccc3)c3ccccc32)C=C/C1=N\[H]
InChIInChI=1S/C24H18N4.C6H7N/c25-19-15-14-18(16-20(19)26)28-23-12-6-4-10-21(23)27(17-8-2-1-3-9-17)22-11-5-7-13-24(22)28;7-6-4-2-1-3-5-6/h1-16,25-26H;1-5H,7H2/b25-19+,26-20-;
InChIKeyWVOZFTVISRZTKD-UVLXCCNKSA-N
XLogP7.37
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.57
LogP ≤ 57.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1-phenylpyrrole-2,5-diimine
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CID 59838794
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aniline;mercury
CID 54604260
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenazine
CID 59194569
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989

Frequently Asked Questions

What is the IUPAC name of aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine (CID 144936370) is aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine is Nc1ccccc1.[H]/N=C1/C=C(N2c3ccccc3N(c3ccccc3)c3ccccc32)C=C/C1=N\[H].
What is the InChIKey of aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is WVOZFTVISRZTKD-UVLXCCNKSA-N. The full InChI is InChI=1S/C24H18N4.C6H7N/c25-19-15-14-18(16-20(19)26)28-23-12-6-4-10-21(23)27(17-8-2-1-3-9-17)22-11-5-7-13-24(22)28;7-6-4-2-1-3-5-6/h1-16,25-26H;1-5H,7H2/b25-19+,26-20-;.
What are the key properties of aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine?
aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 455.57 g/mol, XLogP of 7.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 144936370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).