N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine

C31H26N3O2P — CID 153421803

IUPACN,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine
SMILESCc1ccnc(P2(=O)c3ccccc3-c3ccc(-c4cccc(Oc5cc(N(C)C)ccn5)c4)cc32)c1
InChIInChI=1S/C31H26N3O2P/c1-21-13-15-33-31(17-21)37(35)28-10-5-4-9-26(28)27-12-11-23(19-29(27)37)22-7-6-8-25(18-22)36-30-20-24(34(2)3)14-16-32-30/h4-20H,1-3H3
InChIKeyZPZGWUDHUDPFFA-UHFFFAOYSA-N
MW503.54 g/mol
LogP5.93
Rot. Bonds5

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

N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine (PubChem CID 153421803) has the molecular formula C31H26N3O2P and a molecular weight of 503.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine
PubChem CID153421803
Molecular FormulaC31H26N3O2P
Molecular Weight503.54 g/mol
Exact Mass503.18
IUPAC NameN,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine
SMILESCc1ccnc(P2(=O)c3ccccc3-c3ccc(-c4cccc(Oc5cc(N(C)C)ccn5)c4)cc32)c1
InChIInChI=1S/C31H26N3O2P/c1-21-13-15-33-31(17-21)37(35)28-10-5-4-9-26(28)27-12-11-23(19-29(27)37)22-7-6-8-25(18-22)36-30-20-24(34(2)3)14-16-32-30/h4-20H,1-3H3
InChIKeyZPZGWUDHUDPFFA-UHFFFAOYSA-N
XLogP5.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.54
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)benzo[b][1]benzobismol-3-yl]phenoxy]pyridin-4-amine
CID 153421745
2-[3-[3-[[4-(dimethylamino)-2-pyridinyl]oxy]phenyl]benzo[b][1]benzoborol-5-yl]-N,N-dimethylpyridin-4-amine
CID 153421588
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
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-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
CID 153421691
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
CID 153421187
[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-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
CID 140818851
2-N,4-N,4-N-trimethyl-2-N-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridine-2,4-diamine
CID 158471728
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine (CID 153421803) is N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine is Cc1ccnc(P2(=O)c3ccccc3-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)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine?
The InChIKey is ZPZGWUDHUDPFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N3O2P/c1-21-13-15-33-31(17-21)37(35)28-10-5-4-9-26(28)27-12-11-23(19-29(27)37)22-7-6-8-25(18-22)36-30-20-24(34(2)3)14-16-32-30/h4-20H,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine?
N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine has a molecular weight of 503.54 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[5-(4-methyl-2-pyridinyl)-5-oxobenzo[b]phosphindol-3-yl]phenoxy]pyridin-4-amine is sourced from PubChem (CID 153421803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).