N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine

C63H42F6N8O — CID 136700455

IUPACN,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine
SMILESFc1cccc(F)c1-c1c2nc(c(-c3c(F)cccc3F)c3ccc([nH]3)c(-c3c(F)cccc3F)c3nc(c(-c4ccccc4OCc4cccc(CN(Cc5ccccn5)Cc5ccccn5)n4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C63H42F6N8O/c64-42-16-8-17-43(65)58(42)61-50-25-23-48(73-50)57(41-15-1-2-22-56(41)78-36-40-14-7-13-39(72-40)35-77(33-37-11-3-5-31-70-37)34-38-12-4-6-32-71-38)49-24-26-51(74-49)62(59-44(66)18-9-19-45(59)67)53-28-30-55(76-53)63(54-29-27-52(61)75-54)60-46(68)20-10-21-47(60)69/h1-32,73,76H,33-36H2/b57-48-,57-49-,61-50+,61-52+,62-51+,62-53+,63-54+,63-55+
InChIKeyHDDFGEGEAFIULV-UUZMSAKGSA-N
MW1041.07 g/mol
LogP15.12
Rot. Bonds13

About N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine

N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine (PubChem CID 136700455) has the molecular formula C63H42F6N8O and a molecular weight of 1041.07 g/mol. Its IUPAC name is N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine
PubChem CID136700455
Molecular FormulaC63H42F6N8O
Molecular Weight1041.07 g/mol
Exact Mass1040.34
IUPAC NameN,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine
SMILESFc1cccc(F)c1-c1c2nc(c(-c3c(F)cccc3F)c3ccc([nH]3)c(-c3c(F)cccc3F)c3nc(c(-c4ccccc4OCc4cccc(CN(Cc5ccccn5)Cc5ccccn5)n4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C63H42F6N8O/c64-42-16-8-17-43(65)58(42)61-50-25-23-48(73-50)57(41-15-1-2-22-56(41)78-36-40-14-7-13-39(72-40)35-77(33-37-11-3-5-31-70-37)34-38-12-4-6-32-71-38)49-24-26-51(74-49)62(59-44(66)18-9-19-45(59)67)53-28-30-55(76-53)63(54-29-27-52(61)75-54)60-46(68)20-10-21-47(60)69/h1-32,73,76H,33-36H2/b57-48-,57-49-,61-50+,61-52+,62-51+,62-53+,63-54+,63-55+
InChIKeyHDDFGEGEAFIULV-UUZMSAKGSA-N
XLogP15.12
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.07
LogP ≤ 515.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine with MolForge

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Related Compounds

5-(4-Pyridyl)-10,15,20-tris(4-n-hexadecyloxyphenyl)porphyrin
CID 136806505
1-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine
CID 126554590
2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 126561444
N-[3-fluoro-5-[2-[2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 126563377
8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine
CID 126566147
9-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrido[2,3-c]azepine
CID 126570150
1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine
CID 126570580
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137034001
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137034298
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137039039
1-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137039147
2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137039271

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine?
The IUPAC name of N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine (CID 136700455) is N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine is Fc1cccc(F)c1-c1c2nc(c(-c3c(F)cccc3F)c3ccc([nH]3)c(-c3c(F)cccc3F)c3nc(c(-c4ccccc4OCc4cccc(CN(Cc5ccccn5)Cc5ccccn5)n4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine?
The InChIKey is HDDFGEGEAFIULV-UUZMSAKGSA-N. The full InChI is InChI=1S/C63H42F6N8O/c64-42-16-8-17-43(65)58(42)61-50-25-23-48(73-50)57(41-15-1-2-22-56(41)78-36-40-14-7-13-39(72-40)35-77(33-37-11-3-5-31-70-37)34-38-12-4-6-32-71-38)49-24-26-51(74-49)62(59-44(66)18-9-19-45(59)67)53-28-30-55(76-53)63(54-29-27-52(61)75-54)60-46(68)20-10-21-47(60)69/h1-32,73,76H,33-36H2/b57-48-,57-49-,61-50+,61-52+,62-51+,62-53+,63-54+,63-55+.
What are the key properties of N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine?
N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine has a molecular weight of 1041.07 g/mol, XLogP of 15.12, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pyridin-2-ylmethyl)-1-[6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 136700455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).