3,7,12,17-tetramethyl-21,22-dihydroporphyrin

C24H22N4 — CID 141334060

IUPAC3,7,12,17-tetramethyl-21,22-dihydroporphyrin
SMILESCC1=Cc2cc3cc(C)c(cc4[nH]c(cc5nc(cc1n2)C=C5C)cc4C)[nH]3
InChIInChI=1S/C24H22N4/c1-13-5-17-9-18-6-15(3)23(26-18)12-24-16(4)8-20(28-24)11-22-14(2)7-19(27-22)10-21(13)25-17/h5-12,26,28H,1-4H3/b17-9-,18-9-,19-10-,20-11-,21-10-,22-11-,23-12-,24-12-
InChIKeyLGQLDCHWRCVZEH-FRNQRECWSA-N
MW366.47 g/mol
LogP6.05
Rot. Bonds

About 3,7,12,17-tetramethyl-21,22-dihydroporphyrin

3,7,12,17-tetramethyl-21,22-dihydroporphyrin (PubChem CID 141334060) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3,7,12,17-tetramethyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name3,7,12,17-tetramethyl-21,22-dihydroporphyrin
PubChem CID141334060
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name3,7,12,17-tetramethyl-21,22-dihydroporphyrin
SMILESCC1=Cc2cc3cc(C)c(cc4[nH]c(cc5nc(cc1n2)C=C5C)cc4C)[nH]3
InChIInChI=1S/C24H22N4/c1-13-5-17-9-18-6-15(3)23(26-18)12-24-16(4)8-20(28-24)11-22-14(2)7-19(27-22)10-21(13)25-17/h5-12,26,28H,1-4H3/b17-9-,18-9-,19-10-,20-11-,21-10-,22-11-,23-12-,24-12-
InChIKeyLGQLDCHWRCVZEH-FRNQRECWSA-N
XLogP6.05
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,12,17-tetramethyl-21,22-dihydroporphyrin?
The IUPAC name of 3,7,12,17-tetramethyl-21,22-dihydroporphyrin (CID 141334060) is 3,7,12,17-tetramethyl-21,22-dihydroporphyrin.
What is the SMILES notation for 3,7,12,17-tetramethyl-21,22-dihydroporphyrin?
The canonical SMILES for 3,7,12,17-tetramethyl-21,22-dihydroporphyrin is CC1=Cc2cc3cc(C)c(cc4[nH]c(cc5nc(cc1n2)C=C5C)cc4C)[nH]3.
What is the InChIKey of 3,7,12,17-tetramethyl-21,22-dihydroporphyrin?
The InChIKey is LGQLDCHWRCVZEH-FRNQRECWSA-N. The full InChI is InChI=1S/C24H22N4/c1-13-5-17-9-18-6-15(3)23(26-18)12-24-16(4)8-20(28-24)11-22-14(2)7-19(27-22)10-21(13)25-17/h5-12,26,28H,1-4H3/b17-9-,18-9-,19-10-,20-11-,21-10-,22-11-,23-12-,24-12-.
What are the key properties of 3,7,12,17-tetramethyl-21,22-dihydroporphyrin?
3,7,12,17-tetramethyl-21,22-dihydroporphyrin has a molecular weight of 366.47 g/mol, XLogP of 6.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,12,17-tetramethyl-21,22-dihydroporphyrin is sourced from PubChem (CID 141334060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).