5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin

C48H37N5 — CID 162650010

IUPAC5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(N2CCCC2)=C1
InChIInChI=1S/C48H37N5/c1-5-15-32(16-6-1)44-36-23-24-37(49-36)45(33-17-7-2-8-18-33)39-27-28-41(51-39)47(35-21-11-4-12-22-35)48-43(53-29-13-14-30-53)31-42(52-48)46(34-19-9-3-10-20-34)40-26-25-38(44)50-40/h1-12,15-28,31,50-51H,13-14,29-30H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyAYPDDVKWULRGIR-ZDMNOSTMSA-N
MW683.86 g/mol
LogP11.75
Rot. Bonds5

About 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin

5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin (PubChem CID 162650010) has the molecular formula C48H37N5 and a molecular weight of 683.86 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
PubChem CID162650010
Molecular FormulaC48H37N5
Molecular Weight683.86 g/mol
Exact Mass683.30
IUPAC Name5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(N2CCCC2)=C1
InChIInChI=1S/C48H37N5/c1-5-15-32(16-6-1)44-36-23-24-37(49-36)45(33-17-7-2-8-18-33)39-27-28-41(51-39)47(35-21-11-4-12-22-35)48-43(53-29-13-14-30-53)31-42(52-48)46(34-19-9-3-10-20-34)40-26-25-38(44)50-40/h1-12,15-28,31,50-51H,13-14,29-30H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyAYPDDVKWULRGIR-ZDMNOSTMSA-N
XLogP11.75
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.86
LogP ≤ 511.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10895852
CID 10895852
CID 135401562
CID 135401562
CID 136026482
CID 136026482
CID 70186
CID 70186
CID 130573
CID 130573
CID 11719635
CID 11719635
CID 135405350
CID 135405350
CID 135433388
CID 135433388
CID 135437216
CID 135437216
CID 5250181
CID 5250181
CID 10327777
CID 10327777
CID 70685689
CID 70685689

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin (CID 162650010) is 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(N2CCCC2)=C1.
What is the InChIKey of 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
The InChIKey is AYPDDVKWULRGIR-ZDMNOSTMSA-N. The full InChI is InChI=1S/C48H37N5/c1-5-15-32(16-6-1)44-36-23-24-37(49-36)45(33-17-7-2-8-18-33)39-27-28-41(51-39)47(35-21-11-4-12-22-35)48-43(53-29-13-14-30-53)31-42(52-48)46(34-19-9-3-10-20-34)40-26-25-38(44)50-40/h1-12,15-28,31,50-51H,13-14,29-30H2/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-.
What are the key properties of 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin?
5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin has a molecular weight of 683.86 g/mol, XLogP of 11.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-7-pyrrolidin-1-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 162650010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).