(9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin

C32H40N4 — CID 20781680

IUPAC(9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin
SMILESCCC1=C(C)C2=NC1/C=c1\[nH]c(c(CC)c1C)=CC1=NC(/C=c3\[nH]c(c(CC)c3C)=C2)C(CC)=C1C
InChIInChI=1S/C32H40N4/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25/h13-16,29,32,34-35H,9-12H2,1-8H3/b26-13-,27-16-,30-14?,31-15?
InChIKeySJPTUNNRVJVDDH-LMRYUAJTSA-N
MW480.70 g/mol
LogP4.02
Rot. Bonds4

About (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin

(9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin (PubChem CID 20781680) has the molecular formula C32H40N4 and a molecular weight of 480.70 g/mol. Its IUPAC name is (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin.

Molecular Properties

Compound Name(9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin
PubChem CID20781680
Molecular FormulaC32H40N4
Molecular Weight480.70 g/mol
Exact Mass480.33
IUPAC Name(9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin
SMILESCCC1=C(C)C2=NC1/C=c1\[nH]c(c(CC)c1C)=CC1=NC(/C=c3\[nH]c(c(CC)c3C)=C2)C(CC)=C1C
InChIInChI=1S/C32H40N4/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25/h13-16,29,32,34-35H,9-12H2,1-8H3/b26-13-,27-16-,30-14?,31-15?
InChIKeySJPTUNNRVJVDDH-LMRYUAJTSA-N
XLogP4.02
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.70
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin?
The IUPAC name of (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin (CID 20781680) is (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin.
What is the SMILES notation for (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin?
The canonical SMILES for (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin is CCC1=C(C)C2=NC1/C=c1\[nH]c(c(CC)c1C)=CC1=NC(/C=c3\[nH]c(c(CC)c3C)=C2)C(CC)=C1C.
What is the InChIKey of (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin?
The InChIKey is SJPTUNNRVJVDDH-LMRYUAJTSA-N. The full InChI is InChI=1S/C32H40N4/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25/h13-16,29,32,34-35H,9-12H2,1-8H3/b26-13-,27-16-,30-14?,31-15?.
What are the key properties of (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin?
(9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin has a molecular weight of 480.70 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11,22,24-tetrahydroporphyrin is sourced from PubChem (CID 20781680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).