3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol

C32H24N4O — CID 44590593

IUPAC3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol
SMILESOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)CC3)c1
InChIInChI=1S/C32H24N4O/c37-26-8-4-7-21(17-26)32-29-15-11-24(35-29)18-22-9-13-27(33-22)31(20-5-2-1-3-6-20)28-14-10-23(34-28)19-25-12-16-30(32)36-25/h1-11,13-15,17-19,34-35,37H,12,16H2/b22-18-,23-19-,24-18-,25-19-,31-27-,31-28-,32-29-,32-30-
InChIKeyRCORDTNGBIMRNT-IYNIXLDNSA-N
MW480.57 g/mol
LogP7.31
Rot. Bonds2

About 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol

3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol (PubChem CID 44590593) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol.

Molecular Properties

Compound Name3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol
PubChem CID44590593
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC Name3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol
SMILESOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)CC3)c1
InChIInChI=1S/C32H24N4O/c37-26-8-4-7-21(17-26)32-29-15-11-24(35-29)18-22-9-13-27(33-22)31(20-5-2-1-3-6-20)28-14-10-23(34-28)19-25-12-16-30(32)36-25/h1-11,13-15,17-19,34-35,37H,12,16H2/b22-18-,23-19-,24-18-,25-19-,31-27-,31-28-,32-29-,32-30-
InChIKeyRCORDTNGBIMRNT-IYNIXLDNSA-N
XLogP7.31
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol?
The IUPAC name of 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol (CID 44590593) is 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol.
What is the SMILES notation for 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol?
The canonical SMILES for 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol is Oc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)CC3)c1.
What is the InChIKey of 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol?
The InChIKey is RCORDTNGBIMRNT-IYNIXLDNSA-N. The full InChI is InChI=1S/C32H24N4O/c37-26-8-4-7-21(17-26)32-29-15-11-24(35-29)18-22-9-13-27(33-22)31(20-5-2-1-3-6-20)28-14-10-23(34-28)19-25-12-16-30(32)36-25/h1-11,13-15,17-19,34-35,37H,12,16H2/b22-18-,23-19-,24-18-,25-19-,31-27-,31-28-,32-29-,32-30-.
What are the key properties of 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol?
3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol has a molecular weight of 480.57 g/mol, XLogP of 7.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(15-phenyl-2,3,22,24-tetrahydroporphyrin-5-yl)phenol is sourced from PubChem (CID 44590593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).