3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol

C44H30N4O — CID 3979172

IUPAC3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
SMILESOc1cccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C44H30N4O/c49-32-18-10-17-31(27-32)44-39-25-23-37(47-39)42(29-13-6-2-7-14-29)35-21-19-33(45-35)41(28-11-4-1-5-12-28)34-20-22-36(46-34)43(30-15-8-3-9-16-30)38-24-26-40(44)48-38/h1-27,47-49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyNNVOPSDLYXLWDU-LWQDQPMZSA-N
MW630.75 g/mol
LogP11.03
Rot. Bonds4

About 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol

3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol (PubChem CID 3979172) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol.

Molecular Properties

Compound Name3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
PubChem CID3979172
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC Name3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
SMILESOc1cccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C44H30N4O/c49-32-18-10-17-31(27-32)44-39-25-23-37(47-39)42(29-13-6-2-7-14-29)35-21-19-33(45-35)41(28-11-4-1-5-12-28)34-20-22-36(46-34)43(30-15-8-3-9-16-30)38-24-26-40(44)48-38/h1-27,47-49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyNNVOPSDLYXLWDU-LWQDQPMZSA-N
XLogP11.03
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57348333
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CID 136798654
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
[3-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenyl] benzoate
CID 136716533
3-[5,15-bis(2,4,6-trimethylphenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
CID 11814204
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
3-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzonitrile
CID 136695460
CID 175208777
CID 175208777
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
5-[10,15-bis(3,5-dihydroxyphenyl)-23,24-dihydro-22H-corrin-5-yl]benzene-1,3-diol
CID 136714961

Frequently Asked Questions

What is the IUPAC name of 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol?
The IUPAC name of 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol (CID 3979172) is 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol.
What is the SMILES notation for 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol?
The canonical SMILES for 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol is Oc1cccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol?
The InChIKey is NNVOPSDLYXLWDU-LWQDQPMZSA-N. The full InChI is InChI=1S/C44H30N4O/c49-32-18-10-17-31(27-32)44-39-25-23-37(47-39)42(29-13-6-2-7-14-29)35-21-19-33(45-35)41(28-11-4-1-5-12-28)34-20-22-36(46-34)43(30-15-8-3-9-16-30)38-24-26-40(44)48-38/h1-27,47-49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol?
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol has a molecular weight of 630.75 g/mol, XLogP of 11.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol is sourced from PubChem (CID 3979172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).