5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin

C44H40N4 — CID 71311185

IUPAC5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin
SMILESC1=CC2NC1C(c1ccccc1)c1ccc([nH]1)C(c1ccccc1)C1C=CC(N1)C(c1ccccc1)c1ccc([nH]1)C2c1ccccc1
InChIInChI=1S/C44H40N4/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/h1-28,33,35,38,40-48H
InChIKeySAYFZBHWOPDLTP-UHFFFAOYSA-N
MW624.83 g/mol
LogP8.38
Rot. Bonds4

About 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin

5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin (PubChem CID 71311185) has the molecular formula C44H40N4 and a molecular weight of 624.83 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin
PubChem CID71311185
Molecular FormulaC44H40N4
Molecular Weight624.83 g/mol
Exact Mass624.33
IUPAC Name5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin
SMILESC1=CC2NC1C(c1ccccc1)c1ccc([nH]1)C(c1ccccc1)C1C=CC(N1)C(c1ccccc1)c1ccc([nH]1)C2c1ccccc1
InChIInChI=1S/C44H40N4/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/h1-28,33,35,38,40-48H
InChIKeySAYFZBHWOPDLTP-UHFFFAOYSA-N
XLogP8.38
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 58.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin (CID 71311185) is 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin is C1=CC2NC1C(c1ccccc1)c1ccc([nH]1)C(c1ccccc1)C1C=CC(N1)C(c1ccccc1)c1ccc([nH]1)C2c1ccccc1.
What is the InChIKey of 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin?
The InChIKey is SAYFZBHWOPDLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N4/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/h1-28,33,35,38,40-48H.
What are the key properties of 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin?
5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin has a molecular weight of 624.83 g/mol, XLogP of 8.38, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin is sourced from PubChem (CID 71311185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).