N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine

C31H26BiN3O — CID 153421745

IUPACN,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine
SMILESCc1ccnc([Bi]2c3ccccc3-c3ccc(-c4cccc(Oc5cc(N(C)C)ccn5)c4)cc32)c1
InChIInChI=1S/C25H20N2O.C6H6N.Bi/c1-27(2)23-15-16-26-25(18-23)28-24-10-6-9-22(17-24)21-13-11-20(12-14-21)19-7-4-3-5-8-19;1-6-2-4-7-5-3-6;/h3-7,9-11,13-18H,1-2H3;2-4H,1H3;
InChIKeyFBCYDDRCXRRFSP-UHFFFAOYSA-N
MW665.55 g/mol
LogP4.81
Rot. Bonds5

About N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine

N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine (PubChem CID 153421745) has the molecular formula C31H26BiN3O and a molecular weight of 665.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine
PubChem CID153421745
Molecular FormulaC31H26BiN3O
Molecular Weight665.55 g/mol
Exact Mass665.19
IUPAC NameN,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine
SMILESCc1ccnc([Bi]2c3ccccc3-c3ccc(-c4cccc(Oc5cc(N(C)C)ccn5)c4)cc32)c1
InChIInChI=1S/C25H20N2O.C6H6N.Bi/c1-27(2)23-15-16-26-25(18-23)28-24-10-6-9-22(17-24)21-13-11-20(12-14-21)19-7-4-3-5-8-19;1-6-2-4-7-5-3-6;/h3-7,9-11,13-18H,1-2H3;2-4H,1H3;
InChIKeyFBCYDDRCXRRFSP-UHFFFAOYSA-N
XLogP4.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine
CID 153421803
3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
CID 153421691
2-[3-[3-[[4-(dimethylamino)-2-pyridinyl]oxy]phenyl]benzo[b][1]benzoborol-5-yl]-N,N-dimethylpyridin-4-amine
CID 153421588
4-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)
CID 153421150
3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine
CID 153421435
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943
2-methyl-6-[3-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b][1]benzobismol-4-id-5-yl]pyridine;platinum(2+)
CID 153421988
N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
CID 157068270
3-methyl-2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)
CID 153421006
[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499989
N,N-dimethyl-3-(4-phenoxyphenyl)aniline
CID 57177626
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
CID 153421187

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine (CID 153421745) is N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine is Cc1ccnc([Bi]2c3ccccc3-c3ccc(-c4cccc(Oc5cc(N(C)C)ccn5)c4)cc32)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine?
The InChIKey is FBCYDDRCXRRFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O.C6H6N.Bi/c1-27(2)23-15-16-26-25(18-23)28-24-10-6-9-22(17-24)21-13-11-20(12-14-21)19-7-4-3-5-8-19;1-6-2-4-7-5-3-6;/h3-7,9-11,13-18H,1-2H3;2-4H,1H3;.
What are the key properties of N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine?
N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine has a molecular weight of 665.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine is sourced from PubChem (CID 153421745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).