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

C62H40F6N8O — CID 136881950

IUPACN,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine
SMILESFc1cccc(F)c1-c1c2nc(c(-c3c(F)cccc3F)c3ccc([nH]3)c(-c3c(F)cccc3F)c3nc(c(-c4ccccc4OCc4cccc(N(Cc5ccccn5)Cc5ccccn5)n4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C62H40F6N8O/c63-40-15-8-16-41(64)57(40)60-48-25-23-46(72-48)56(39-14-1-2-21-54(39)77-35-38-13-7-22-55(71-38)76(33-36-11-3-5-31-69-36)34-37-12-4-6-32-70-37)47-24-26-49(73-47)61(58-42(65)17-9-18-43(58)66)51-28-30-53(75-51)62(52-29-27-50(60)74-52)59-44(67)19-10-20-45(59)68/h1-32,72,75H,33-35H2/b56-46-,56-47-,60-48+,60-50+,61-49+,61-51+,62-52+,62-53+
InChIKeyNKIPQKNBZKUBBG-JYVASFTJSA-N
MW1027.05 g/mol
LogP15.13
Rot. Bonds12

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

N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine (PubChem CID 136881950) has the molecular formula C62H40F6N8O and a molecular weight of 1027.05 g/mol. Its IUPAC name is N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine
PubChem CID136881950
Molecular FormulaC62H40F6N8O
Molecular Weight1027.05 g/mol
Exact Mass1026.32
IUPAC NameN,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine
SMILESFc1cccc(F)c1-c1c2nc(c(-c3c(F)cccc3F)c3ccc([nH]3)c(-c3c(F)cccc3F)c3nc(c(-c4ccccc4OCc4cccc(N(Cc5ccccn5)Cc5ccccn5)n4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C62H40F6N8O/c63-40-15-8-16-41(64)57(40)60-48-25-23-46(72-48)56(39-14-1-2-21-54(39)77-35-38-13-7-22-55(71-38)76(33-36-11-3-5-31-69-36)34-37-12-4-6-32-70-37)47-24-26-49(73-47)61(58-42(65)17-9-18-43(58)66)51-28-30-53(75-51)62(52-29-27-50(60)74-52)59-44(67)19-10-20-45(59)68/h1-32,72,75H,33-35H2/b56-46-,56-47-,60-48+,60-50+,61-49+,61-51+,62-52+,62-53+
InChIKeyNKIPQKNBZKUBBG-JYVASFTJSA-N
XLogP15.13
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.05
LogP ≤ 515.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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1-[6-[9-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]pyrazin-2-yl]azetidin-3-amine
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5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137034101
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
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5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
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5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
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3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
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3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 138603424

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine?
The IUPAC name of N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine (CID 136881950) is N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine.
What is the SMILES notation for N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine?
The canonical SMILES for N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine is Fc1cccc(F)c1-c1c2nc(c(-c3c(F)cccc3F)c3ccc([nH]3)c(-c3c(F)cccc3F)c3nc(c(-c4ccccc4OCc4cccc(N(Cc5ccccn5)Cc5ccccn5)n4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine?
The InChIKey is NKIPQKNBZKUBBG-JYVASFTJSA-N. The full InChI is InChI=1S/C62H40F6N8O/c63-40-15-8-16-41(64)57(40)60-48-25-23-46(72-48)56(39-14-1-2-21-54(39)77-35-38-13-7-22-55(71-38)76(33-36-11-3-5-31-69-36)34-37-12-4-6-32-70-37)47-24-26-49(73-47)61(58-42(65)17-9-18-43(58)66)51-28-30-53(75-51)62(52-29-27-50(60)74-52)59-44(67)19-10-20-45(59)68/h1-32,72,75H,33-35H2/b56-46-,56-47-,60-48+,60-50+,61-49+,61-51+,62-52+,62-53+.
What are the key properties of N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine?
N,N-bis(pyridin-2-ylmethyl)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine has a molecular weight of 1027.05 g/mol, XLogP of 15.13, 12 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)-6-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine is sourced from PubChem (CID 136881950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).