5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin

C82H56N10 — CID 101445463

IUPAC5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESCc1nc(C)c(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)nc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C82H56N10/c1-49-81(79-69-45-41-65(88-69)75(53-25-13-5-14-26-53)61-37-33-57(84-61)73(51-21-9-3-10-22-51)58-34-38-62(85-58)76(54-27-15-6-16-28-54)66-42-46-70(79)89-66)92-82(50(2)83-49)80-71-47-43-67(90-71)77(55-29-17-7-18-30-55)63-39-35-59(86-63)74(52-23-11-4-12-24-52)60-36-40-64(87-60)78(56-31-19-8-20-32-56)68-44-48-72(80)91-68/h3-48,84,86,89,91H,1-2H3/b73-57-,73-58-,74-59-,74-60-,75-61-,75-65-,76-62-,76-66-,77-63-,77-67-,78-64-,78-68-,79-69+,79-70+,80-71+,80-72+
InChIKeyMKAZJMRIHUFOIY-WKXVGHRCSA-N
MW1181.42 g/mol
LogP20.37
Rot. Bonds8

About 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin

5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin (PubChem CID 101445463) has the molecular formula C82H56N10 and a molecular weight of 1181.42 g/mol. Its IUPAC name is 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
PubChem CID101445463
Molecular FormulaC82H56N10
Molecular Weight1181.42 g/mol
Exact Mass1180.47
IUPAC Name5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESCc1nc(C)c(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)nc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C82H56N10/c1-49-81(79-69-45-41-65(88-69)75(53-25-13-5-14-26-53)61-37-33-57(84-61)73(51-21-9-3-10-22-51)58-34-38-62(85-58)76(54-27-15-6-16-28-54)66-42-46-70(79)89-66)92-82(50(2)83-49)80-71-47-43-67(90-71)77(55-29-17-7-18-30-55)63-39-35-59(86-63)74(52-23-11-4-12-24-52)60-36-40-64(87-60)78(56-31-19-8-20-32-56)68-44-48-72(80)91-68/h3-48,84,86,89,91H,1-2H3/b73-57-,73-58-,74-59-,74-60-,75-61-,75-65-,76-62-,76-66-,77-63-,77-67-,78-64-,78-68-,79-69+,79-70+,80-71+,80-72+
InChIKeyMKAZJMRIHUFOIY-WKXVGHRCSA-N
XLogP20.37
TPSA140.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.42
LogP ≤ 520.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
21-methyl-2,7,12,17-tetraphenyl-21,24,25,26,27-pentazahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(24),2,4,6,8(26),9,11,13,15,17,19,22-dodecaene
CID 136739940
CID 175208777
CID 175208777
20,21,22,23-tetrafluoro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19(24),20,22-tridecaene
CID 135401516
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
13-methyl-2,7,12,16-tetraphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3(22),4,6,8,10,12,14,16,18-decaene
CID 142249274
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 176570038
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin (CID 101445463) is 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin is Cc1nc(C)c(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)nc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The InChIKey is MKAZJMRIHUFOIY-WKXVGHRCSA-N. The full InChI is InChI=1S/C82H56N10/c1-49-81(79-69-45-41-65(88-69)75(53-25-13-5-14-26-53)61-37-33-57(84-61)73(51-21-9-3-10-22-51)58-34-38-62(85-58)76(54-27-15-6-16-28-54)66-42-46-70(79)89-66)92-82(50(2)83-49)80-71-47-43-67(90-71)77(55-29-17-7-18-30-55)63-39-35-59(86-63)74(52-23-11-4-12-24-52)60-36-40-64(87-60)78(56-31-19-8-20-32-56)68-44-48-72(80)91-68/h3-48,84,86,89,91H,1-2H3/b73-57-,73-58-,74-59-,74-60-,75-61-,75-65-,76-62-,76-66-,77-63-,77-67-,78-64-,78-68-,79-69+,79-70+,80-71+,80-72+.
What are the key properties of 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin has a molecular weight of 1181.42 g/mol, XLogP of 20.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 101445463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).