5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin

C42H46N6 — CID 134064307

IUPAC5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin
SMILESC1=CC2NC1C(c1ccccc1)C1CCC(N1)C(c1ccncc1)C1C=CC(N1)C(c1ccccc1)C1CCC(N1)C2c1ccncc1
InChIInChI=1S/C42H46N6/c1-3-7-27(8-4-1)39-31-11-15-35(45-31)41(29-19-23-43-24-20-29)37-17-13-33(47-37)40(28-9-5-2-6-10-28)34-14-18-38(48-34)42(30-21-25-44-26-22-30)36-16-12-32(39)46-36/h1-11,14-15,18-26,31-42,45-48H,12-13,16-17H2
InChIKeyZUILRCXXLKXRTA-UHFFFAOYSA-N
MW634.87 g/mol
LogP5.96
Rot. Bonds4

About 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin

5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin (PubChem CID 134064307) has the molecular formula C42H46N6 and a molecular weight of 634.87 g/mol. Its IUPAC name is 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin.

Molecular Properties

Compound Name5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin
PubChem CID134064307
Molecular FormulaC42H46N6
Molecular Weight634.87 g/mol
Exact Mass634.38
IUPAC Name5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin
SMILESC1=CC2NC1C(c1ccccc1)C1CCC(N1)C(c1ccncc1)C1C=CC(N1)C(c1ccccc1)C1CCC(N1)C2c1ccncc1
InChIInChI=1S/C42H46N6/c1-3-7-27(8-4-1)39-31-11-15-35(45-31)41(29-19-23-43-24-20-29)37-17-13-33(47-37)40(28-9-5-2-6-10-28)34-14-18-38(48-34)42(30-21-25-44-26-22-30)36-16-12-32(39)46-36/h1-11,14-15,18-26,31-42,45-48H,12-13,16-17H2
InChIKeyZUILRCXXLKXRTA-UHFFFAOYSA-N
XLogP5.96
TPSA73.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.87
LogP ≤ 55.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
The IUPAC name of 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin (CID 134064307) is 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin.
What is the SMILES notation for 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
The canonical SMILES for 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin is C1=CC2NC1C(c1ccccc1)C1CCC(N1)C(c1ccncc1)C1C=CC(N1)C(c1ccccc1)C1CCC(N1)C2c1ccncc1.
What is the InChIKey of 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
The InChIKey is ZUILRCXXLKXRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N6/c1-3-7-27(8-4-1)39-31-11-15-35(45-31)41(29-19-23-43-24-20-29)37-17-13-33(47-37)40(28-9-5-2-6-10-28)34-14-18-38(48-34)42(30-21-25-44-26-22-30)36-16-12-32(39)46-36/h1-11,14-15,18-26,31-42,45-48H,12-13,16-17H2.
What are the key properties of 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin has a molecular weight of 634.87 g/mol, XLogP of 5.96, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-diphenyl-10,20-dipyridin-4-yl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin is sourced from PubChem (CID 134064307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).