15-butyl-5-tert-butyl-21,22-dihydroporphyrin

C28H30N4 — CID 46184275

IUPAC15-butyl-5-tert-butyl-21,22-dihydroporphyrin
SMILESCCCCc1c2nc(cc3ccc([nH]3)c(C(C)(C)C)c3ccc(cc4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C28H30N4/c1-5-6-7-22-23-12-8-18(29-23)16-20-10-14-25(31-20)27(28(2,3)4)26-15-11-21(32-26)17-19-9-13-24(22)30-19/h8-17,31-32H,5-7H2,1-4H3/b18-16-,19-17-,20-16-,21-17-,23-22-,24-22-,27-25+,27-26+
InChIKeyUFNPLTTWHRAAIY-GLXOKZGISA-N
MW422.58 g/mol
LogP7.30
Rot. Bonds3

About 15-butyl-5-tert-butyl-21,22-dihydroporphyrin

15-butyl-5-tert-butyl-21,22-dihydroporphyrin (PubChem CID 46184275) has the molecular formula C28H30N4 and a molecular weight of 422.58 g/mol. Its IUPAC name is 15-butyl-5-tert-butyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-butyl-5-tert-butyl-21,22-dihydroporphyrin
PubChem CID46184275
Molecular FormulaC28H30N4
Molecular Weight422.58 g/mol
Exact Mass422.25
IUPAC Name15-butyl-5-tert-butyl-21,22-dihydroporphyrin
SMILESCCCCc1c2nc(cc3ccc([nH]3)c(C(C)(C)C)c3ccc(cc4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C28H30N4/c1-5-6-7-22-23-12-8-18(29-23)16-20-10-14-25(31-20)27(28(2,3)4)26-15-11-21(32-26)17-19-9-13-24(22)30-19/h8-17,31-32H,5-7H2,1-4H3/b18-16-,19-17-,20-16-,21-17-,23-22-,24-22-,27-25+,27-26+
InChIKeyUFNPLTTWHRAAIY-GLXOKZGISA-N
XLogP7.30
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dimethoxyphenyl)-15-hexyl-21,22-dihydroporphyrin
CID 86056630
8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin
CID 135448344
(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane
CID 71518795
10-(2-butyl-1H-indol-3-yl)-5,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 136851338
10-(5-bromopentyl)-21,22-dihydroporphyrin
CID 163539540
5,15-bis(2,6-dimethylphenyl)-21,22-dihydroporphyrin
CID 163359228
chromium;5,10,15,20-tetrabutyl-21,22-dihydroporphyrin
CID 158233233
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
10,12,13,23-tetrahexyl-21H-porphyrin
CID 66685161
10-hexyl-15-(4-methylphenyl)-5-(2,4,6-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135863103
5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
10,20-dimethyl-21,22-dihydroporphyrin
CID 173103171

Frequently Asked Questions

What is the IUPAC name of 15-butyl-5-tert-butyl-21,22-dihydroporphyrin?
The IUPAC name of 15-butyl-5-tert-butyl-21,22-dihydroporphyrin (CID 46184275) is 15-butyl-5-tert-butyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-butyl-5-tert-butyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-butyl-5-tert-butyl-21,22-dihydroporphyrin is CCCCc1c2nc(cc3ccc([nH]3)c(C(C)(C)C)c3ccc(cc4nc1C=C4)[nH]3)C=C2.
What is the InChIKey of 15-butyl-5-tert-butyl-21,22-dihydroporphyrin?
The InChIKey is UFNPLTTWHRAAIY-GLXOKZGISA-N. The full InChI is InChI=1S/C28H30N4/c1-5-6-7-22-23-12-8-18(29-23)16-20-10-14-25(31-20)27(28(2,3)4)26-15-11-21(32-26)17-19-9-13-24(22)30-19/h8-17,31-32H,5-7H2,1-4H3/b18-16-,19-17-,20-16-,21-17-,23-22-,24-22-,27-25+,27-26+.
What are the key properties of 15-butyl-5-tert-butyl-21,22-dihydroporphyrin?
15-butyl-5-tert-butyl-21,22-dihydroporphyrin has a molecular weight of 422.58 g/mol, XLogP of 7.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-butyl-5-tert-butyl-21,22-dihydroporphyrin is sourced from PubChem (CID 46184275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).