5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile

C48H26N8 — CID 15303294

IUPAC5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile
SMILESN#CC1=C(C#N)c2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(C#N)=C1C#N
InChIInChI=1S/C48H26N8/c49-25-33-34(26-50)46-43(31-17-9-3-10-18-31)39-23-24-40(54-39)44(32-19-11-4-12-20-32)48-36(28-52)35(27-51)47(56-48)42(30-15-7-2-8-16-30)38-22-21-37(53-38)41(45(33)55-46)29-13-5-1-6-14-29/h1-24,53-54H/b41-37-,42-38-,43-39-,44-40-,45-41-,46-43-,47-42-,48-44-
InChIKeyFADFKUXVDULYHP-VVBZUZIESA-N
MW714.79 g/mol
LogP10.90
Rot. Bonds4

About 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile

5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile (PubChem CID 15303294) has the molecular formula C48H26N8 and a molecular weight of 714.79 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile
PubChem CID15303294
Molecular FormulaC48H26N8
Molecular Weight714.79 g/mol
Exact Mass714.23
IUPAC Name5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile
SMILESN#CC1=C(C#N)c2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(C#N)=C1C#N
InChIInChI=1S/C48H26N8/c49-25-33-34(26-50)46-43(31-17-9-3-10-18-31)39-23-24-40(54-39)44(32-19-11-4-12-20-32)48-36(28-52)35(27-51)47(56-48)42(30-15-7-2-8-16-30)38-22-21-37(53-38)41(45(33)55-46)29-13-5-1-6-14-29/h1-24,53-54H/b41-37-,42-38-,43-39-,44-40-,45-41-,46-43-,47-42-,48-44-
InChIKeyFADFKUXVDULYHP-VVBZUZIESA-N
XLogP10.90
TPSA152.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.79
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-oxo-14,19,24-triphenyl-12,28,29,30-tetrazaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene-31-carbonitrile
CID 135445286
3-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzonitrile
CID 136695460
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
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
2,7,19,24-tetraphenyl-10,12,14,16,27,29,31,33-octathia-35,36,37,38-tetrazanonacyclo[23.9.1.13,6.18,18.120,23.09,17.011,15.026,34.028,32]octatriaconta-1(35),2,4,6,8(37),9(17),11(15),18,20,22,24,26(34),28(32)-tridecaene-13,30-dithione
CID 101342316
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
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
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
4-[10,15,20-tris(4-cyanophenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile;zinc
CID 175086451
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile?
The IUPAC name of 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile (CID 15303294) is 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile.
What is the SMILES notation for 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile?
The canonical SMILES for 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile is N#CC1=C(C#N)c2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(C#N)=C1C#N.
What is the InChIKey of 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile?
The InChIKey is FADFKUXVDULYHP-VVBZUZIESA-N. The full InChI is InChI=1S/C48H26N8/c49-25-33-34(26-50)46-43(31-17-9-3-10-18-31)39-23-24-40(54-39)44(32-19-11-4-12-20-32)48-36(28-52)35(27-51)47(56-48)42(30-15-7-2-8-16-30)38-22-21-37(53-38)41(45(33)55-46)29-13-5-1-6-14-29/h1-24,53-54H/b41-37-,42-38-,43-39-,44-40-,45-41-,46-43-,47-42-,48-44-.
What are the key properties of 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile?
5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile has a molecular weight of 714.79 g/mol, XLogP of 10.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile is sourced from PubChem (CID 15303294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).