2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

C45H32N4 — CID 10031928

IUPAC2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
SMILESCc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C45H32N4/c1-29-28-40-43(32-18-10-4-11-19-32)38-25-24-36(47-38)41(30-14-6-2-7-15-30)34-22-23-35(46-34)42(31-16-8-3-9-17-31)37-26-27-39(48-37)44(45(29)49-40)33-20-12-5-13-21-33/h2-28,47,49H,1H3/b41-34-,41-36-,42-35-,42-37-,43-38-,43-40-,44-39-,45-44-
InChIKeyYNZACAQZZXAJBL-WRBHSUHOSA-N
MW628.78 g/mol
LogP11.63
Rot. Bonds4

About 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin (PubChem CID 10031928) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
PubChem CID10031928
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
SMILESCc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C45H32N4/c1-29-28-40-43(32-18-10-4-11-19-32)38-25-24-36(47-38)41(30-14-6-2-7-15-30)34-22-23-35(46-34)42(31-16-8-3-9-17-31)37-26-27-39(48-37)44(45(29)49-40)33-20-12-5-13-21-33/h2-28,47,49H,1H3/b41-34-,41-36-,42-35-,42-37-,43-38-,43-40-,44-39-,45-44-
InChIKeyYNZACAQZZXAJBL-WRBHSUHOSA-N
XLogP11.63
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 169095894
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CID 11657844
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
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12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 176570038
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
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 11029223
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The IUPAC name of 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin (CID 10031928) is 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin is Cc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The InChIKey is YNZACAQZZXAJBL-WRBHSUHOSA-N. The full InChI is InChI=1S/C45H32N4/c1-29-28-40-43(32-18-10-4-11-19-32)38-25-24-36(47-38)41(30-14-6-2-7-15-30)34-22-23-35(46-34)42(31-16-8-3-9-17-31)37-26-27-39(48-37)44(45(29)49-40)33-20-12-5-13-21-33/h2-28,47,49H,1H3/b41-34-,41-36-,42-35-,42-37-,43-38-,43-40-,44-39-,45-44-.
What are the key properties of 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin has a molecular weight of 628.78 g/mol, XLogP of 11.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 10031928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).