5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin

C50H36N4 — CID 135534838

IUPAC5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin
SMILESC1=CC2=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)c3ccc(n3-c3ccccc3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)C1=N2
InChIInChI=1S/C50H36N4/c1-6-16-34(17-7-1)47-39-26-27-40(51-39)48(35-18-8-2-9-19-35)42-29-31-44(53-42)50(37-22-12-4-13-23-37)46-33-32-45(54(46)38-24-14-5-15-25-38)49(36-20-10-3-11-21-36)43-30-28-41(47)52-43/h1-33,49,52-53H
InChIKeyYIAZTLOCOLNMKP-UHFFFAOYSA-N
MW692.87 g/mol
LogP9.54
Rot. Bonds5

About 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin

5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin (PubChem CID 135534838) has the molecular formula C50H36N4 and a molecular weight of 692.87 g/mol. Its IUPAC name is 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin.

Molecular Properties

Compound Name5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin
PubChem CID135534838
Molecular FormulaC50H36N4
Molecular Weight692.87 g/mol
Exact Mass692.29
IUPAC Name5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin
SMILESC1=CC2=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)c3ccc(n3-c3ccccc3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)C1=N2
InChIInChI=1S/C50H36N4/c1-6-16-34(17-7-1)47-39-26-27-40(51-39)48(35-18-8-2-9-19-35)42-29-31-44(53-42)50(37-22-12-4-13-23-37)46-33-32-45(54(46)38-24-14-5-15-25-38)49(36-20-10-3-11-21-36)43-30-28-41(47)52-43/h1-33,49,52-53H
InChIKeyYIAZTLOCOLNMKP-UHFFFAOYSA-N
XLogP9.54
TPSA48.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.87
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
CID 136806099
4-[10,15,20-tris(4-aminophenyl)-5,21,22,23-tetrahydroporphyrin-5-yl]aniline
CID 91082782
(7Z,11Z,16Z)-24-oxo-2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),5,7,9,11,13(22),14,16,18-nonaene-5-carbonitrile
CID 136901766
(2Z,6Z,11Z)-2,7,12,17-tetraphenyl-21,22-dioxa-23,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8(23),9,11,13,15,18-decaene
CID 163197084
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
CID 10919474
(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
CID 136832644
4-[(E)-2-(5,10,15,20-tetraphenyl-10,23-dihydroporphyrin-2-yl)ethenyl]phthalic acid
CID 158249467
(2Z,6Z,11Z,17E)-21-ethyl-2,7,12,17-tetraphenyl-23,24,25-triazapentacyclo[16.2.2.13,6.18,11.113,16]pentacosa-1(21),2,4,6,8(24),9,11,13,15,17,19-undecaene;molecular hydrogen
CID 142967395
2,7,12,17-tetrakis(4-chlorophenyl)-27,28,29-triazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene
CID 135424566
(10Z,14Z,19Z)-5,10,15,20-tetrakis(4,6-dichloropyrimidin-5-yl)-5,21,22,23-tetrahydroporphyrin
CID 11170497
4,9,14,19-tetraphenyl-2,21,23,24-tetrazahexacyclo[13.5.1.13,20.15,8.110,13.018,21]tetracosa-1,3(22),4,6,8,10(23),11,13,15,17,19-undecaene
CID 135475814

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin?
The IUPAC name of 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin (CID 135534838) is 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin.
What is the SMILES notation for 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin?
The canonical SMILES for 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin is C1=CC2=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)c3ccc(n3-c3ccccc3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)C1=N2.
What is the InChIKey of 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin?
The InChIKey is YIAZTLOCOLNMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4/c1-6-16-34(17-7-1)47-39-26-27-40(51-39)48(35-18-8-2-9-19-35)42-29-31-44(53-42)50(37-22-12-4-13-23-37)46-33-32-45(54(46)38-24-14-5-15-25-38)49(36-20-10-3-11-21-36)43-30-28-41(47)52-43/h1-33,49,52-53H.
What are the key properties of 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin?
5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin has a molecular weight of 692.87 g/mol, XLogP of 9.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin is sourced from PubChem (CID 135534838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).