5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin

C52H35N7 — CID 136776816

IUPAC5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(-n4cc(-c5ccccc5)nn4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C52H35N7/c1-5-13-34(14-6-1)48-33-59(58-57-48)39-23-21-38(22-24-39)52-46-31-29-44(55-46)50(36-17-9-3-10-18-36)42-27-25-40(53-42)49(35-15-7-2-8-16-35)41-26-28-43(54-41)51(37-19-11-4-12-20-37)45-30-32-47(52)56-45/h1-33,53,56H/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-
InChIKeyONMQCZZOIDRQPQ-IXAFCNGASA-N
MW757.90 g/mol
LogP12.57
Rot. Bonds6

About 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin

5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin (PubChem CID 136776816) has the molecular formula C52H35N7 and a molecular weight of 757.90 g/mol. Its IUPAC name is 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin
PubChem CID136776816
Molecular FormulaC52H35N7
Molecular Weight757.90 g/mol
Exact Mass757.30
IUPAC Name5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(-n4cc(-c5ccccc5)nn4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C52H35N7/c1-5-13-34(14-6-1)48-33-59(58-57-48)39-23-21-38(22-24-39)52-46-31-29-44(55-46)50(36-17-9-3-10-18-36)42-27-25-40(53-42)49(35-15-7-2-8-16-35)41-26-28-43(54-41)51(37-19-11-4-12-20-37)45-30-32-47(52)56-45/h1-33,53,56H/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-
InChIKeyONMQCZZOIDRQPQ-IXAFCNGASA-N
XLogP12.57
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.90
LogP ≤ 512.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-7-[1-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]triazol-4-yl]chromen-2-one
CID 137081557
3,5-bis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,2,4-triazol-4-amine
CID 101236444
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
1-[4-[20-[4-(2,5-dioxopyrrol-1-yl)phenyl]-10,15-diphenyl-21,23-dihydroporphyrin-5-yl]phenyl]pyrrole-2,5-dione
CID 136703643
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
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
4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione
CID 137248530
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
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764

Frequently Asked Questions

What is the IUPAC name of 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin (CID 136776816) is 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(-n4cc(-c5ccccc5)nn4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin?
The InChIKey is ONMQCZZOIDRQPQ-IXAFCNGASA-N. The full InChI is InChI=1S/C52H35N7/c1-5-13-34(14-6-1)48-33-59(58-57-48)39-23-21-38(22-24-39)52-46-31-29-44(55-46)50(36-17-9-3-10-18-36)42-27-25-40(53-42)49(35-15-7-2-8-16-35)41-26-28-43(54-41)51(37-19-11-4-12-20-37)45-30-32-47(52)56-45/h1-33,53,56H/b49-40-,49-41-,50-42-,50-44-,51-43-,51-45-,52-46-,52-47-.
What are the key properties of 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin?
5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin has a molecular weight of 757.90 g/mol, XLogP of 12.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 136776816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).