5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin

C45H32N4O — CID 136740277

IUPAC5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESCOc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C45H32N4O/c1-50-41-20-12-11-19-32(41)45-39-27-25-37(48-39)43(30-15-7-3-8-16-30)35-23-21-33(46-35)42(29-13-5-2-6-14-29)34-22-24-36(47-34)44(31-17-9-4-10-18-31)38-26-28-40(45)49-38/h2-28,46,49H,1H3/b42-33-,42-34-,43-35-,43-37-,44-36-,44-38-,45-39-,45-40-
InChIKeyNLVNMVXWBQLRAA-RBSSIMBTSA-N
MW644.78 g/mol
LogP11.33
Rot. Bonds5

About 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin

5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin (PubChem CID 136740277) has the molecular formula C45H32N4O and a molecular weight of 644.78 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
PubChem CID136740277
Molecular FormulaC45H32N4O
Molecular Weight644.78 g/mol
Exact Mass644.26
IUPAC Name5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESCOc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C45H32N4O/c1-50-41-20-12-11-19-32(41)45-39-27-25-37(48-39)43(30-15-7-3-8-16-30)35-23-21-33(46-35)42(29-13-5-2-6-14-29)34-22-24-36(47-34)44(31-17-9-4-10-18-31)38-26-28-40(45)49-38/h2-28,46,49H,1H3/b42-33-,42-34-,43-35-,43-37-,44-36-,44-38-,45-39-,45-40-
InChIKeyNLVNMVXWBQLRAA-RBSSIMBTSA-N
XLogP11.33
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 511.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
CID 175061750
5-(9,10-dimethoxyphenanthren-1-yl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135443520
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 136712274
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
6-(2,5-dimethoxyphenyl)-15,20-diphenyl-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
CID 101051653
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
2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453726
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin (CID 136740277) is 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin is COc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin?
The InChIKey is NLVNMVXWBQLRAA-RBSSIMBTSA-N. The full InChI is InChI=1S/C45H32N4O/c1-50-41-20-12-11-19-32(41)45-39-27-25-37(48-39)43(30-15-7-3-8-16-30)35-23-21-33(46-35)42(29-13-5-2-6-14-29)34-22-24-36(47-34)44(31-17-9-4-10-18-31)38-26-28-40(45)49-38/h2-28,46,49H,1H3/b42-33-,42-34-,43-35-,43-37-,44-36-,44-38-,45-39-,45-40-.
What are the key properties of 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin?
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin has a molecular weight of 644.78 g/mol, XLogP of 11.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 136740277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).