(10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin

C36H48N4 — CID 140932154

IUPAC(10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin
SMILESCCC1=C(CC)/C2=C/C3=NC(CC4=NC(CC5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC
InChIInChI=1S/C36H48N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-18,33,36H,9-16,19-20H2,1-8H3/b29-17-,32-18-
InChIKeyIMDPVGGNWOCERU-IYQUZQCRSA-N
MW536.81 g/mol
LogP9.57
Rot. Bonds8

About (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin

(10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin (PubChem CID 140932154) has the molecular formula C36H48N4 and a molecular weight of 536.81 g/mol. Its IUPAC name is (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin.

Molecular Properties

Compound Name(10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin
PubChem CID140932154
Molecular FormulaC36H48N4
Molecular Weight536.81 g/mol
Exact Mass536.39
IUPAC Name(10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin
SMILESCCC1=C(CC)/C2=C/C3=NC(CC4=NC(CC5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC
InChIInChI=1S/C36H48N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-18,33,36H,9-16,19-20H2,1-8H3/b29-17-,32-18-
InChIKeyIMDPVGGNWOCERU-IYQUZQCRSA-N
XLogP9.57
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.81
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin?
The IUPAC name of (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin (CID 140932154) is (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin.
What is the SMILES notation for (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin?
The canonical SMILES for (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin is CCC1=C(CC)/C2=C/C3=NC(CC4=NC(CC5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.
What is the InChIKey of (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin?
The InChIKey is IMDPVGGNWOCERU-IYQUZQCRSA-N. The full InChI is InChI=1S/C36H48N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-18,33,36H,9-16,19-20H2,1-8H3/b29-17-,32-18-.
What are the key properties of (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin?
(10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin has a molecular weight of 536.81 g/mol, XLogP of 9.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin is sourced from PubChem (CID 140932154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).