5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin

C44H32N4 — CID 67659281

IUPAC5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin
SMILESC1=C/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C=C5)CC4)CC3
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/h1-24H,25-28H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyJASDXJAZNJFSSD-LWQDQPMZSA-N
MW616.77 g/mol
LogP10.14
Rot. Bonds4

About 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin

5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin (PubChem CID 67659281) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin
PubChem CID67659281
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Name5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin
SMILESC1=C/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C=C5)CC4)CC3
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/h1-24H,25-28H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyJASDXJAZNJFSSD-LWQDQPMZSA-N
XLogP10.14
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin (CID 67659281) is 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin is C1=C/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C=C5)CC4)CC3.
What is the InChIKey of 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin?
The InChIKey is JASDXJAZNJFSSD-LWQDQPMZSA-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/h1-24H,25-28H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin?
5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin has a molecular weight of 616.77 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin is sourced from PubChem (CID 67659281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).