5,10,15-tripyridin-2-yl-21H-corrin

C34H21N7 — CID 67104657

IUPAC5,10,15-tripyridin-2-yl-21H-corrin
SMILESC1=C/C2=C(\c3ccccn3)C3=N/C(=c4/cc/c([nH]4)=C(\c4ccccn4)C4=N/C(=C(/c5ccccn5)C1=N2)C=C4)C=C3
InChIInChI=1S/C34H21N7/c1-4-18-35-23(7-1)32-26-12-10-21(38-26)22-11-13-27(39-22)33(24-8-2-5-19-36-24)29-15-17-31(41-29)34(25-9-3-6-20-37-25)30-16-14-28(32)40-30/h1-20,38H/b22-21-,32-26-,32-28-,33-27-,33-29-,34-30-,34-31-
InChIKeyBBFILLDNTYKHKW-IIPUVCDPSA-N
MW527.59 g/mol
LogP4.38
Rot. Bonds3

About 5,10,15-tripyridin-2-yl-21H-corrin

5,10,15-tripyridin-2-yl-21H-corrin (PubChem CID 67104657) has the molecular formula C34H21N7 and a molecular weight of 527.59 g/mol. Its IUPAC name is 5,10,15-tripyridin-2-yl-21H-corrin.

Molecular Properties

Compound Name5,10,15-tripyridin-2-yl-21H-corrin
PubChem CID67104657
Molecular FormulaC34H21N7
Molecular Weight527.59 g/mol
Exact Mass527.19
IUPAC Name5,10,15-tripyridin-2-yl-21H-corrin
SMILESC1=C/C2=C(\c3ccccn3)C3=N/C(=c4/cc/c([nH]4)=C(\c4ccccn4)C4=N/C(=C(/c5ccccn5)C1=N2)C=C4)C=C3
InChIInChI=1S/C34H21N7/c1-4-18-35-23(7-1)32-26-12-10-21(38-26)22-11-13-27(39-22)33(24-8-2-5-19-36-24)29-15-17-31(41-29)34(25-9-3-6-20-37-25)30-16-14-28(32)40-30/h1-20,38H/b22-21-,32-26-,32-28-,33-27-,33-29-,34-30-,34-31-
InChIKeyBBFILLDNTYKHKW-IIPUVCDPSA-N
XLogP4.38
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorophenyl)-17,37-diphenyl-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41),39-docosaene
CID 139256846
12,27-bis(2,4,6-trimethylphenyl)-31,32,33,34-tetrazaheptacyclo[26.2.1.18,11.113,16.123,26.02,7.017,22]tetratriaconta-1,3,5,7,9,11,13(33),14,16,18,20,22,24,26,28(31),29-hexadecaene
CID 137274510
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
4-[(6Z,12Z,16Z)-7,12,17-triphenyl-21,23-dithia-22,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),4,6,8,10,12,14,16,18-decaen-2-ylidene]cyclohexa-2,5-dien-1-one
CID 10908509
(5E,10Z,14Z,19E)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)-1,4,21,23-tetrahydroporphyrin tetrachloride
CID 118725122

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tripyridin-2-yl-21H-corrin?
The IUPAC name of 5,10,15-tripyridin-2-yl-21H-corrin (CID 67104657) is 5,10,15-tripyridin-2-yl-21H-corrin.
What is the SMILES notation for 5,10,15-tripyridin-2-yl-21H-corrin?
The canonical SMILES for 5,10,15-tripyridin-2-yl-21H-corrin is C1=C/C2=C(\c3ccccn3)C3=N/C(=c4/cc/c([nH]4)=C(\c4ccccn4)C4=N/C(=C(/c5ccccn5)C1=N2)C=C4)C=C3.
What is the InChIKey of 5,10,15-tripyridin-2-yl-21H-corrin?
The InChIKey is BBFILLDNTYKHKW-IIPUVCDPSA-N. The full InChI is InChI=1S/C34H21N7/c1-4-18-35-23(7-1)32-26-12-10-21(38-26)22-11-13-27(39-22)33(24-8-2-5-19-36-24)29-15-17-31(41-29)34(25-9-3-6-20-37-25)30-16-14-28(32)40-30/h1-20,38H/b22-21-,32-26-,32-28-,33-27-,33-29-,34-30-,34-31-.
What are the key properties of 5,10,15-tripyridin-2-yl-21H-corrin?
5,10,15-tripyridin-2-yl-21H-corrin has a molecular weight of 527.59 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tripyridin-2-yl-21H-corrin is sourced from PubChem (CID 67104657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).