(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol

C44H32N4O — CID 135467032

IUPAC(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol
SMILESOC1(c2ccccc2)C2=N/C(=C(/c3ccccc3)c3ccc([nH]3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)c3ccc1[nH]3)C=C2
InChIInChI=1S/C44H32N4O/c49-44(32-19-11-4-12-20-32)39-27-25-37(47-39)42(30-15-7-2-8-16-30)35-23-21-33(45-35)41(29-13-5-1-6-14-29)34-22-24-36(46-34)43(31-17-9-3-10-18-31)38-26-28-40(44)48-38/h1-28,45-47,49H/b41-33-,42-35-,43-38-
InChIKeyFBBRJKWLGWISJE-BDSXPOFZSA-N
MW632.77 g/mol
LogP7.19
Rot. Bonds4

About (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol

(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol (PubChem CID 135467032) has the molecular formula C44H32N4O and a molecular weight of 632.77 g/mol. Its IUPAC name is (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol.

Molecular Properties

Compound Name(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol
PubChem CID135467032
Molecular FormulaC44H32N4O
Molecular Weight632.77 g/mol
Exact Mass632.26
IUPAC Name(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol
SMILESOC1(c2ccccc2)C2=N/C(=C(/c3ccccc3)c3ccc([nH]3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)c3ccc1[nH]3)C=C2
InChIInChI=1S/C44H32N4O/c49-44(32-19-11-4-12-20-32)39-27-25-37(47-39)42(30-15-7-2-8-16-30)35-23-21-33(45-35)41(29-13-5-1-6-14-29)34-22-24-36(46-34)43(31-17-9-3-10-18-31)38-26-28-40(44)48-38/h1-28,45-47,49H/b41-33-,42-35-,43-38-
InChIKeyFBBRJKWLGWISJE-BDSXPOFZSA-N
XLogP7.19
TPSA79.96 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.77
LogP ≤ 57.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol with MolForge

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Related Compounds

(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
CID 10919474
(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
CID 136832644
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
7,17,27-trimethyl-2,12,22-tris(2,3,4,5,6-pentafluorophenyl)-7,17,27-triphenyl-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3,5,8,10,12,14,16(34),18,20,22,24,26(32),28(31),29-pentadecaene
CID 139291288
2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorophenyl)-17,37-diphenyl-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41),39-docosaene
CID 139256846
(2Z,6Z,11Z,17E)-21-ethyl-2,7,12,17-tetraphenyl-23,24,25-triazapentacyclo[16.2.2.13,6.18,11.113,16]pentacosa-1(21),2,4,6,8(24),9,11,13,15,17,19-undecaene;molecular hydrogen
CID 142967395
17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene
CID 102225810
2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11,13,15,17,19-decaene
CID 91265450
(9Z,15Z,19Z)-5-tert-butyl-10,20-bis(3-methoxyphenyl)-15-phenyl-5,21,23,24-tetrahydroporphyrin
CID 135863003
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
CID 123266108

Frequently Asked Questions

What is the IUPAC name of (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol?
The IUPAC name of (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol (CID 135467032) is (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol.
What is the SMILES notation for (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol?
The canonical SMILES for (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol is OC1(c2ccccc2)C2=N/C(=C(/c3ccccc3)c3ccc([nH]3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)c3ccc1[nH]3)C=C2.
What is the InChIKey of (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol?
The InChIKey is FBBRJKWLGWISJE-BDSXPOFZSA-N. The full InChI is InChI=1S/C44H32N4O/c49-44(32-19-11-4-12-20-32)39-27-25-37(47-39)42(30-15-7-2-8-16-30)35-23-21-33(45-35)41(29-13-5-1-6-14-29)34-22-24-36(46-34)43(31-17-9-3-10-18-31)38-26-28-40(44)48-38/h1-28,45-47,49H/b41-33-,42-35-,43-38-.
What are the key properties of (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol?
(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol has a molecular weight of 632.77 g/mol, XLogP of 7.19, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol is sourced from PubChem (CID 135467032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).