3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin

C29H32N4 — CID 177428667

IUPAC3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin
SMILESCCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)cc5C)c(CC)c4C)C(C)=C3C
InChIInChI=1S/C29H32N4/c1-8-21-18(6)26-13-24-16(4)17(5)25(31-24)14-27-19(7)22(9-2)29(33-27)12-23-15(3)10-20(30-23)11-28(21)32-26/h10-14,30,33H,8-9H2,1-7H3/b20-11-,23-12-,24-13-,25-14-,26-13-,27-14-,28-11-,29-12-
InChIKeyZJCZRGTVKUVVMV-PKZODCSJSA-N
MW436.60 g/mol
LogP7.79
Rot. Bonds2

About 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin

3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin (PubChem CID 177428667) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin
PubChem CID177428667
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC Name3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin
SMILESCCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)cc5C)c(CC)c4C)C(C)=C3C
InChIInChI=1S/C29H32N4/c1-8-21-18(6)26-13-24-16(4)17(5)25(31-24)14-27-19(7)22(9-2)29(33-27)12-23-15(3)10-20(30-23)11-28(21)32-26/h10-14,30,33H,8-9H2,1-7H3/b20-11-,23-12-,24-13-,25-14-,26-13-,27-14-,28-11-,29-12-
InChIKeyZJCZRGTVKUVVMV-PKZODCSJSA-N
XLogP7.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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(25),2,4,6,8,10,12,14,16(26),17,19(24)-undecaene
CID 10074330
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-1,3,5,7,9,11(27),12,14,16,18(25),19,21,23-tridecaene
CID 102210129
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
3,7,12,18-tetrabutyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin
CID 86190122
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
3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate;manganese(2+)
CID 10054601
tris(3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate);bis(manganese(3+))
CID 173357328
18-(2-carboxyethyl)-8,12-diethyl-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid
CID 56842004
methyl 3-[7,12-diethyl-3-(3-methoxy-3-oxopropyl)-8,13,17,18-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
CID 164679333
methyl 3-[13,17-diethyl-8-(3-methoxy-3-oxopropyl)-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate
CID 11801640

Frequently Asked Questions

What is the IUPAC name of 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin?
The IUPAC name of 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin (CID 177428667) is 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin.
What is the SMILES notation for 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin?
The canonical SMILES for 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin is CCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)cc5C)c(CC)c4C)C(C)=C3C.
What is the InChIKey of 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin?
The InChIKey is ZJCZRGTVKUVVMV-PKZODCSJSA-N. The full InChI is InChI=1S/C29H32N4/c1-8-21-18(6)26-13-24-16(4)17(5)25(31-24)14-27-19(7)22(9-2)29(33-27)12-23-15(3)10-20(30-23)11-28(21)32-26/h10-14,30,33H,8-9H2,1-7H3/b20-11-,23-12-,24-13-,25-14-,26-13-,27-14-,28-11-,29-12-.
What are the key properties of 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin?
3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin has a molecular weight of 436.60 g/mol, XLogP of 7.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin is sourced from PubChem (CID 177428667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).