(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin

C44H32N4 — CID 59167867

IUPAC(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
SMILESC1=C/C2=C(\c3ccccc3)C3=CCC(N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)C1=N2
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-27,40,45,48H,28H2/b41-33-,42-35-,43-36-,44-39-
InChIKeyONDPAALTMYWFDG-DLJQTLRXSA-N
MW616.77 g/mol
LogP7.52
Rot. Bonds4

About (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin

(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin (PubChem CID 59167867) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin.

Molecular Properties

Compound Name(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
PubChem CID59167867
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Name(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
SMILESC1=C/C2=C(\c3ccccc3)C3=CCC(N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)C1=N2
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-27,40,45,48H,28H2/b41-33-,42-35-,43-36-,44-39-
InChIKeyONDPAALTMYWFDG-DLJQTLRXSA-N
XLogP7.52
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
The IUPAC name of (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin (CID 59167867) is (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin.
What is the SMILES notation for (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
The canonical SMILES for (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin is C1=C/C2=C(\c3ccccc3)C3=CCC(N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)C1=N2.
What is the InChIKey of (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
The InChIKey is ONDPAALTMYWFDG-DLJQTLRXSA-N. The full InChI is InChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-27,40,45,48H,28H2/b41-33-,42-35-,43-36-,44-39-.
What are the key properties of (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin has a molecular weight of 616.77 g/mol, XLogP of 7.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin is sourced from PubChem (CID 59167867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).