5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine

C41H31N7O2 — CID 6858061

IUPAC5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine
SMILESCN(C)c1ccc2nc3c4ccccc4c(=Nc4cccc(/N=c5\cc6oc7cc(N(C)C)ccc7nc-6c6ccccc56)n4)cc-3oc2c1
InChIInChI=1S/C41H31N7O2/c1-47(2)24-16-18-30-34(20-24)49-36-22-32(26-10-5-7-12-28(26)40(36)44-30)42-38-14-9-15-39(46-38)43-33-23-37-41(29-13-8-6-11-27(29)33)45-31-19-17-25(48(3)4)21-35(31)50-37/h5-23H,1-4H3/b42-32+,43-33?
InChIKeyRDVRZIHSCNWPIR-DARFQNRHSA-N
MW653.75 g/mol
LogP8.48
Rot. Bonds4

About 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine

5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine (PubChem CID 6858061) has the molecular formula C41H31N7O2 and a molecular weight of 653.75 g/mol. Its IUPAC name is 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine.

Molecular Properties

Compound Name5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine
PubChem CID6858061
Molecular FormulaC41H31N7O2
Molecular Weight653.75 g/mol
Exact Mass653.25
IUPAC Name5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine
SMILESCN(C)c1ccc2nc3c4ccccc4c(=Nc4cccc(/N=c5\cc6oc7cc(N(C)C)ccc7nc-6c6ccccc56)n4)cc-3oc2c1
InChIInChI=1S/C41H31N7O2/c1-47(2)24-16-18-30-34(20-24)49-36-22-32(26-10-5-7-12-28(26)40(36)44-30)42-38-14-9-15-39(46-38)43-33-23-37-41(29-13-8-6-11-27(29)33)45-31-19-17-25(48(3)4)21-35(31)50-37/h5-23H,1-4H3/b42-32+,43-33?
InChIKeyRDVRZIHSCNWPIR-DARFQNRHSA-N
XLogP8.48
TPSA96.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 66870971
2-[4-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]phenyl]acetic acid
CID 69172282
5-(2-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
CID 56661665
N,N-diethyl-3-methyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 70914310
(5E)-3-bromo-N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 54580679
N,N-dibutyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine;dihydrochloride
CID 90664836
N-pyridin-4-yl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine
CID 57404852
N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide
CID 57404680
N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine
CID 142048774
2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine
CID 83382789
chloromethane;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium
CID 143958527
zinc;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium;trichloride
CID 56841855

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine?
The IUPAC name of 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine (CID 6858061) is 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine.
What is the SMILES notation for 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine?
The canonical SMILES for 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine is CN(C)c1ccc2nc3c4ccccc4c(=Nc4cccc(/N=c5\cc6oc7cc(N(C)C)ccc7nc-6c6ccccc56)n4)cc-3oc2c1.
What is the InChIKey of 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine?
The InChIKey is RDVRZIHSCNWPIR-DARFQNRHSA-N. The full InChI is InChI=1S/C41H31N7O2/c1-47(2)24-16-18-30-34(20-24)49-36-22-32(26-10-5-7-12-28(26)40(36)44-30)42-38-14-9-15-39(46-38)43-33-23-37-41(29-13-8-6-11-27(29)33)45-31-19-17-25(48(3)4)21-35(31)50-37/h5-23H,1-4H3/b42-32+,43-33?.
What are the key properties of 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine?
5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine has a molecular weight of 653.75 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]amino]-2-pyridinyl]imino]-N,N-dimethylbenzo[a]phenoxazin-9-amine is sourced from PubChem (CID 6858061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).