1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin

C44H32N4 — CID 136656264

IUPAC1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin
SMILESC1=CC2=NC1=CC1=NC(c3ccccc3)(CC1)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1
InChIInChI=1S/C44H32N4/c1-5-13-30(14-6-1)41-36-22-21-34(45-36)29-35-27-28-44(48-35,33-19-11-4-12-20-33)43(32-17-9-3-10-18-32)40-26-25-39(47-40)42(31-15-7-2-8-16-31)38-24-23-37(41)46-38/h1-26,29,46H,27-28H2
InChIKeyOGVKVCPYUPZUIK-UHFFFAOYSA-N
MW616.77 g/mol
LogP7.87
Rot. Bonds4

About 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin

1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin (PubChem CID 136656264) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin.

Molecular Properties

Compound Name1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin
PubChem CID136656264
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Name1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin
SMILESC1=CC2=NC1=CC1=NC(c3ccccc3)(CC1)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1
InChIInChI=1S/C44H32N4/c1-5-13-30(14-6-1)41-36-22-21-34(45-36)29-35-27-28-44(48-35,33-19-11-4-12-20-33)43(32-17-9-3-10-18-32)40-26-25-39(47-40)42(31-15-7-2-8-16-31)38-24-23-37(41)46-38/h1-26,29,46H,27-28H2
InChIKeyOGVKVCPYUPZUIK-UHFFFAOYSA-N
XLogP7.87
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5Z,9Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,4,21,22-tetrahydroporphyrin
CID 136135835
(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
CID 118729008
(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
CID 59167867
4-Tetraphenylporphyrine
CID 129707998
(4-Phenyl)porphyrin
CID 129827519
CID 518895
CID 518895
8,10,12,13,15-Pentafluoro-2,3,5,7-tetraphenylporphyrin
CID 66696861
2,3,5,7-Tetrakis(2-fluorophenyl)porphyrin
CID 67905133
5,10,15,20-Tetrakis(2,3,4,5,6-pentafluorophenyl)-2-phenyl-1,2,3,23-tetrahydroporphyrin
CID 137065851
2,3,5,7-Tetraphenyl-8-(trifluoromethyl)porphyrin
CID 175231803
(5,10,15,20-Tetraphenylporphyrin cation-radical)(oxo)iron(IV)
CID 60182260
Tetra-phenyltetrahydroporphin
CID 77520081

Frequently Asked Questions

What is the IUPAC name of 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin?
The IUPAC name of 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin (CID 136656264) is 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin.
What is the SMILES notation for 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin?
The canonical SMILES for 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin is C1=CC2=NC1=CC1=NC(c3ccccc3)(CC1)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1.
What is the InChIKey of 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin?
The InChIKey is OGVKVCPYUPZUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4/c1-5-13-30(14-6-1)41-36-22-21-34(45-36)29-35-27-28-44(48-35,33-19-11-4-12-20-33)43(32-17-9-3-10-18-32)40-26-25-39(47-40)42(31-15-7-2-8-16-31)38-24-23-37(41)46-38/h1-26,29,46H,27-28H2.
What are the key properties of 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin?
1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin has a molecular weight of 616.77 g/mol, XLogP of 7.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,15,20-tetraphenyl-3,23-dihydro-2H-porphyrin is sourced from PubChem (CID 136656264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).