2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol

C32H40N4O2 — CID 78174048

IUPAC2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol
SMILESCCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)C(C)(O)C4(O)CC)c(C)c3CC
InChIInChI=1S/C32H40N4O2/c1-9-20-17(5)23-13-27-21(10-2)19(7)25(35-27)15-30-32(38,12-4)31(8,37)29(36-30)16-28-22(11-3)18(6)24(34-28)14-26(20)33-23/h13-16,34-35,37-38H,9-12H2,1-8H3/b23-13-,24-14-,25-15-,26-14-,27-13-,28-16-,29-16-,30-15-
InChIKeyWSQGPJYZFHUZBN-DBFVCKKFSA-N
MW512.70 g/mol
LogP6.90
Rot. Bonds4

About 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol

2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol (PubChem CID 78174048) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol.

Molecular Properties

Compound Name2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol
PubChem CID78174048
Molecular FormulaC32H40N4O2
Molecular Weight512.70 g/mol
Exact Mass512.32
IUPAC Name2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol
SMILESCCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)C(C)(O)C4(O)CC)c(C)c3CC
InChIInChI=1S/C32H40N4O2/c1-9-20-17(5)23-13-27-21(10-2)19(7)25(35-27)15-30-32(38,12-4)31(8,37)29(36-30)16-28-22(11-3)18(6)24(34-28)14-26(20)33-23/h13-16,34-35,37-38H,9-12H2,1-8H3/b23-13-,24-14-,25-15-,26-14-,27-13-,28-16-,29-16-,30-15-
InChIKeyWSQGPJYZFHUZBN-DBFVCKKFSA-N
XLogP6.90
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 56.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,9,14-triethyl-5,10,15-trimethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21,23-tridecaene
CID 102210129
2,8,12,18-tetraethyl-3,7,13,15,17-pentamethyl-21,22-dihydroporphyrin
CID 635582
4,9,14-triethyl-5,10,15-trimethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,10,12,14,16(26),17,19(24)-undecaene
CID 10074330
3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin
CID 177428667
(E)-3-(2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-5-yl)prop-2-en-1-ol
CID 10280227
3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid
CID 137327305
3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid;chromium(3+);trichloride
CID 173095258
4,5,10,14,19,20-hexaethyl-9,15-dimethyl-2,21,22,23,24-pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaene
CID 23404528
18-(2-carboxyethyl)-8,12-diethyl-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid
CID 56842004
tris(3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);bis(manganese(3+))
CID 173357328
3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate;manganese(2+)
CID 10054601
4,8,19,23-tetraethyl-3,9,18,24-tetramethyl-27-oxa-25,26,28,29-tetrazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,7,9,11,13,15,17,19,21,23-tridecaene
CID 15301785

Frequently Asked Questions

What is the IUPAC name of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol?
The IUPAC name of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol (CID 78174048) is 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol.
What is the SMILES notation for 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol?
The canonical SMILES for 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol is CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)C(C)(O)C4(O)CC)c(C)c3CC.
What is the InChIKey of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol?
The InChIKey is WSQGPJYZFHUZBN-DBFVCKKFSA-N. The full InChI is InChI=1S/C32H40N4O2/c1-9-20-17(5)23-13-27-21(10-2)19(7)25(35-27)15-30-32(38,12-4)31(8,37)29(36-30)16-28-22(11-3)18(6)24(34-28)14-26(20)33-23/h13-16,34-35,37-38H,9-12H2,1-8H3/b23-13-,24-14-,25-15-,26-14-,27-13-,28-16-,29-16-,30-15-.
What are the key properties of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol?
2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol has a molecular weight of 512.70 g/mol, XLogP of 6.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol is sourced from PubChem (CID 78174048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).