5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin

C82H56N14 — CID 102508906

IUPAC5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1cn(Cc3ccccc3)nn1)c1nc(c(-c3c4nc(c(-c5cn(Cc6ccccc6)nn5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C82H56N14/c1-7-19-51(20-8-1)47-95-49-73(91-93-95)79-65-39-35-61(85-65)75(53-23-11-3-12-24-53)57-31-33-59(83-57)77(55-27-15-5-16-28-55)63-37-43-69(87-63)81(71-45-41-67(79)89-71)82-70-44-38-64(88-70)78(56-29-17-6-18-30-56)60-34-32-58(84-60)76(54-25-13-4-14-26-54)62-36-40-66(86-62)80(68-42-46-72(82)90-68)74-50-96(94-92-74)48-52-21-9-2-10-22-52/h1-46,49-50,85-88H,47-48H2/b75-57-,75-61-,76-58-,76-62-,77-59-,77-63-,78-60-,78-64-,79-65+,79-67+,80-66+,80-68+,81-69+,81-71+,82-70+,82-72+
InChIKeyBJZSNPBEMBKEGP-BFARTSSKSA-N
MW1237.45 g/mol
LogP18.57
Rot. Bonds11

About 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin

5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin (PubChem CID 102508906) has the molecular formula C82H56N14 and a molecular weight of 1237.45 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin
PubChem CID102508906
Molecular FormulaC82H56N14
Molecular Weight1237.45 g/mol
Exact Mass1236.48
IUPAC Name5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1cn(Cc3ccccc3)nn1)c1nc(c(-c3c4nc(c(-c5cn(Cc6ccccc6)nn5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C82H56N14/c1-7-19-51(20-8-1)47-95-49-73(91-93-95)79-65-39-35-61(85-65)75(53-23-11-3-12-24-53)57-31-33-59(83-57)77(55-27-15-5-16-28-55)63-37-43-69(87-63)81(71-45-41-67(79)89-71)82-70-44-38-64(88-70)78(56-29-17-6-18-30-56)60-34-32-58(84-60)76(54-25-13-4-14-26-54)62-36-40-66(86-62)80(68-42-46-72(82)90-68)74-50-96(94-92-74)48-52-21-9-2-10-22-52/h1-46,49-50,85-88H,47-48H2/b75-57-,75-61-,76-58-,76-62-,77-59-,77-63-,78-60-,78-64-,79-65+,79-67+,80-66+,80-68+,81-69+,81-71+,82-70+,82-72+
InChIKeyBJZSNPBEMBKEGP-BFARTSSKSA-N
XLogP18.57
TPSA176.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.45
LogP ≤ 518.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin
CID 136776816
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
CID 175208777
CID 175208777
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
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
3,5-bis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,2,4-triazol-4-amine
CID 101236444
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
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695
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
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin (CID 102508906) is 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1cn(Cc3ccccc3)nn1)c1nc(c(-c3c4nc(c(-c5cn(Cc6ccccc6)nn5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin?
The InChIKey is BJZSNPBEMBKEGP-BFARTSSKSA-N. The full InChI is InChI=1S/C82H56N14/c1-7-19-51(20-8-1)47-95-49-73(91-93-95)79-65-39-35-61(85-65)75(53-23-11-3-12-24-53)57-31-33-59(83-57)77(55-27-15-5-16-28-55)63-37-43-69(87-63)81(71-45-41-67(79)89-71)82-70-44-38-64(88-70)78(56-29-17-6-18-30-56)60-34-32-58(84-60)76(54-25-13-4-14-26-54)62-36-40-66(86-62)80(68-42-46-72(82)90-68)74-50-96(94-92-74)48-52-21-9-2-10-22-52/h1-46,49-50,85-88H,47-48H2/b75-57-,75-61-,76-58-,76-62-,77-59-,77-63-,78-60-,78-64-,79-65+,79-67+,80-66+,80-68+,81-69+,81-71+,82-70+,82-72+.
What are the key properties of 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin?
5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin has a molecular weight of 1237.45 g/mol, XLogP of 18.57, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-10-[10-(1-benzyltriazol-4-yl)-15,20-diphenyl-21,23-dihydroporphyrin-5-yl]-15,20-diphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 102508906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).