N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine

C55H48N4O2 — CID 140908717

IUPACN,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine
SMILESCc1cc(C)c(-c2cc(-c3cc(-c4ccccc4)c(C)cn3)cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4oc(C)cc4C)c3)c3c(C)ccnc3C)c2)o1
InChIInChI=1S/C55H48N4O2/c1-33-19-20-56-40(8)53(33)59(47-25-43(23-45(27-47)54-34(2)21-38(6)60-54)51-29-49(36(4)31-57-51)41-15-11-9-12-16-41)48-26-44(24-46(28-48)55-35(3)22-39(7)61-55)52-30-50(37(5)32-58-52)42-17-13-10-14-18-42/h9-32H,1-8H3
InChIKeyXMIDVPMHDAGQGR-UHFFFAOYSA-N
MW797.02 g/mol
LogP15.00
Rot. Bonds9

About N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine

N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine (PubChem CID 140908717) has the molecular formula C55H48N4O2 and a molecular weight of 797.02 g/mol. Its IUPAC name is N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine.

Molecular Properties

Compound NameN,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine
PubChem CID140908717
Molecular FormulaC55H48N4O2
Molecular Weight797.02 g/mol
Exact Mass796.38
IUPAC NameN,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine
SMILESCc1cc(C)c(-c2cc(-c3cc(-c4ccccc4)c(C)cn3)cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4oc(C)cc4C)c3)c3c(C)ccnc3C)c2)o1
InChIInChI=1S/C55H48N4O2/c1-33-19-20-56-40(8)53(33)59(47-25-43(23-45(27-47)54-34(2)21-38(6)60-54)51-29-49(36(4)31-57-51)41-15-11-9-12-16-41)48-26-44(24-46(28-48)55-35(3)22-39(7)61-55)52-30-50(37(5)32-58-52)42-17-13-10-14-18-42/h9-32H,1-8H3
InChIKeyXMIDVPMHDAGQGR-UHFFFAOYSA-N
XLogP15.00
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.02
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine with MolForge

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Related Compounds

2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine
CID 140908764
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
CID 140881794
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
CID 140908638
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
CID 140908798
N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine
CID 140908600
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
CID 140908668
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
CID 140908719
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
2,5-dimethyl-4-phenylpyridine
CID 603086

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine?
The IUPAC name of N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine (CID 140908717) is N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine.
What is the SMILES notation for N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine?
The canonical SMILES for N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine is Cc1cc(C)c(-c2cc(-c3cc(-c4ccccc4)c(C)cn3)cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4oc(C)cc4C)c3)c3c(C)ccnc3C)c2)o1.
What is the InChIKey of N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine?
The InChIKey is XMIDVPMHDAGQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N4O2/c1-33-19-20-56-40(8)53(33)59(47-25-43(23-45(27-47)54-34(2)21-38(6)60-54)51-29-49(36(4)31-57-51)41-15-11-9-12-16-41)48-26-44(24-46(28-48)55-35(3)22-39(7)61-55)52-30-50(37(5)32-58-52)42-17-13-10-14-18-42/h9-32H,1-8H3.
What are the key properties of N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine?
N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine has a molecular weight of 797.02 g/mol, XLogP of 15.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine is sourced from PubChem (CID 140908717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).