3-cyclopropylimino-N,5-diphenylphenazin-2-amine

C27H22N4 — CID 56612122

IUPAC3-cyclopropylimino-N,5-diphenylphenazin-2-amine
SMILESc1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CC2)cc1
InChIInChI=1S/C27H22N4/c1-3-9-19(10-4-1)28-23-17-25-27(18-24(23)29-20-15-16-20)31(21-11-5-2-6-12-21)26-14-8-7-13-22(26)30-25/h1-14,17-18,20,28H,15-16H2/b29-24+
InChIKeyFDTYYLPMOLXRTC-RMLRFSFXSA-N
MW402.50 g/mol
LogP5.94
Rot. Bonds4

About 3-cyclopropylimino-N,5-diphenylphenazin-2-amine

3-cyclopropylimino-N,5-diphenylphenazin-2-amine (PubChem CID 56612122) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-cyclopropylimino-N,5-diphenylphenazin-2-amine.

Molecular Properties

Compound Name3-cyclopropylimino-N,5-diphenylphenazin-2-amine
PubChem CID56612122
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC Name3-cyclopropylimino-N,5-diphenylphenazin-2-amine
SMILESc1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CC2)cc1
InChIInChI=1S/C27H22N4/c1-3-9-19(10-4-1)28-23-17-25-27(18-24(23)29-20-15-16-20)31(21-11-5-2-6-12-21)26-14-8-7-13-22(26)30-25/h1-14,17-18,20,28H,15-16H2/b29-24+
InChIKeyFDTYYLPMOLXRTC-RMLRFSFXSA-N
XLogP5.94
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805717
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805723
3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine
CID 66805573
3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine
CID 14020638
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine
CID 66805892
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
CID 66805881
5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyrimidin-5-ylphenazin-2-amine
CID 66805753
N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine
CID 68632725
3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805824
2-[2-[(3-anilino-10-phenylphenazin-2-ylidene)amino]ethyl]guanidine
CID 71616573

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylimino-N,5-diphenylphenazin-2-amine?
The IUPAC name of 3-cyclopropylimino-N,5-diphenylphenazin-2-amine (CID 56612122) is 3-cyclopropylimino-N,5-diphenylphenazin-2-amine.
What is the SMILES notation for 3-cyclopropylimino-N,5-diphenylphenazin-2-amine?
The canonical SMILES for 3-cyclopropylimino-N,5-diphenylphenazin-2-amine is c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CC2)cc1.
What is the InChIKey of 3-cyclopropylimino-N,5-diphenylphenazin-2-amine?
The InChIKey is FDTYYLPMOLXRTC-RMLRFSFXSA-N. The full InChI is InChI=1S/C27H22N4/c1-3-9-19(10-4-1)28-23-17-25-27(18-24(23)29-20-15-16-20)31(21-11-5-2-6-12-21)26-14-8-7-13-22(26)30-25/h1-14,17-18,20,28H,15-16H2/b29-24+.
What are the key properties of 3-cyclopropylimino-N,5-diphenylphenazin-2-amine?
3-cyclopropylimino-N,5-diphenylphenazin-2-amine has a molecular weight of 402.50 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimino-N,5-diphenylphenazin-2-amine is sourced from PubChem (CID 56612122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).