2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine

C32H39N5 — CID 136851358

IUPAC2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine
SMILES[H]/N=c1\c2nc(cc3[nH]c(cc4[nH]c(cc5[nH]c1c(C)c5CC)c(CC)c4C)c(C)c3CC)C(CC)=C2C
InChIInChI=1S/C32H39N5/c1-9-20-16(5)24-13-25-17(6)21(10-2)27(35-25)15-29-23(12-4)19(8)32(37-29)30(33)31-18(7)22(11-3)28(36-31)14-26(20)34-24/h13-15,33-36H,9-12H2,1-8H3/b24-13-,26-14-,29-15-,33-30-
InChIKeyGIKNBMBOCQDBSN-LJVIUDFUSA-N
MW493.70 g/mol
LogP7.96
Rot. Bonds4

About 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine

2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine (PubChem CID 136851358) has the molecular formula C32H39N5 and a molecular weight of 493.70 g/mol. Its IUPAC name is 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine.

Molecular Properties

Compound Name2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine
PubChem CID136851358
Molecular FormulaC32H39N5
Molecular Weight493.70 g/mol
Exact Mass493.32
IUPAC Name2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine
SMILES[H]/N=c1\c2nc(cc3[nH]c(cc4[nH]c(cc5[nH]c1c(C)c5CC)c(CC)c4C)c(C)c3CC)C(CC)=C2C
InChIInChI=1S/C32H39N5/c1-9-20-16(5)24-13-25-17(6)21(10-2)27(35-25)15-29-23(12-4)19(8)32(37-29)30(33)31-18(7)22(11-3)28(36-31)14-26(20)34-24/h13-15,33-36H,9-12H2,1-8H3/b24-13-,26-14-,29-15-,33-30-
InChIKeyGIKNBMBOCQDBSN-LJVIUDFUSA-N
XLogP7.96
TPSA84.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 57.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine with MolForge

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Related Compounds

2,8,12,18-tetraethyl-3,7,13,15,17-pentamethyl-21,22-dihydroporphyrin
CID 635582
2,3,8,12,17,18-hexaethyl-7,13-dimethyl-22,23-dihydro-21H-corrin
CID 100952744
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
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
4-[2,8,12,18-tetraethyl-15-(4-hydroxyphenyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-5-yl]phenol
CID 137231820
2,3,7,13,17,18-hexaethyl-8,12-dimethyl-10-phenyl-22,24-dihydro-21H-corrin
CID 10650716
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
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
(E)-3-(2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-5-yl)prop-2-en-1-ol
CID 10280227
3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin
CID 177428667
7,8,12,13-tetraethyl-2,3,17,18-tetramethyl-22,23-dihydro-21H-corrin
CID 15335798
2-[18-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]-4,13,14,23-tetraethyl-3,8,19,24-tetramethyl-25,26,27,28,29-pentazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2,4,6,8,10,12,14,16,18,20(26),21,23-tridecaen-9-yl]-N,N-bis(2-hydroxyethyl)acetamide
CID 177398803

Frequently Asked Questions

What is the IUPAC name of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine?
The IUPAC name of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine (CID 136851358) is 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine.
What is the SMILES notation for 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine?
The canonical SMILES for 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine is [H]/N=c1\c2nc(cc3[nH]c(cc4[nH]c(cc5[nH]c1c(C)c5CC)c(CC)c4C)c(C)c3CC)C(CC)=C2C.
What is the InChIKey of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine?
The InChIKey is GIKNBMBOCQDBSN-LJVIUDFUSA-N. The full InChI is InChI=1S/C32H39N5/c1-9-20-16(5)24-13-25-17(6)21(10-2)27(35-25)15-29-23(12-4)19(8)32(37-29)30(33)31-18(7)22(11-3)28(36-31)14-26(20)34-24/h13-15,33-36H,9-12H2,1-8H3/b24-13-,26-14-,29-15-,33-30-.
What are the key properties of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine?
2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine has a molecular weight of 493.70 g/mol, XLogP of 7.96, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine is sourced from PubChem (CID 136851358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).