(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol

C44H34N4O — CID 154526848

IUPAC(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol
SMILESOC1=CC2N/C1=C(/C1=CC=CCC1)c1ccc([nH]1)/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C44H34N4O/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31/h1-11,13-19,21-27,38,46-49H,12,20H2/b40-34-,41-33-,42-36-,44-43-
InChIKeyQJXWXPFKNKIFPQ-ALFPSKSFSA-N
MW634.78 g/mol
LogP7.63
Rot. Bonds4

About (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol

(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol (PubChem CID 154526848) has the molecular formula C44H34N4O and a molecular weight of 634.78 g/mol. Its IUPAC name is (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol.

Molecular Properties

Compound Name(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol
PubChem CID154526848
Molecular FormulaC44H34N4O
Molecular Weight634.78 g/mol
Exact Mass634.27
IUPAC Name(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol
SMILESOC1=CC2N/C1=C(/C1=CC=CCC1)c1ccc([nH]1)/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C44H34N4O/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31/h1-11,13-19,21-27,38,46-49H,12,20H2/b40-34-,41-33-,42-36-,44-43-
InChIKeyQJXWXPFKNKIFPQ-ALFPSKSFSA-N
XLogP7.63
TPSA76.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 57.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[10,15,20-tris(4-carboxyphenyl)-4,21,22,24-tetrahydroporphyrin-5-yl]benzoic acid
CID 162272184
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
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
(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
(7Z,11Z,16Z)-24-oxo-2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),5,7,9,11,13(22),14,16,18-nonaene-5-carbonitrile
CID 136901766
(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
CID 10919474
methyl 4-[(5Z,10Z,14Z,19Z)-10,15,20-triphenyl-1,2,3,4,21,23-hexahydroporphyrin-5-yl]benzoate
CID 76844763
5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin
CID 75210756
5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin
CID 135534838
(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
CID 136832644
(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
CID 136806099
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

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol?
The IUPAC name of (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol (CID 154526848) is (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol.
What is the SMILES notation for (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol?
The canonical SMILES for (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol is OC1=CC2N/C1=C(/C1=CC=CCC1)c1ccc([nH]1)/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1.
What is the InChIKey of (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol?
The InChIKey is QJXWXPFKNKIFPQ-ALFPSKSFSA-N. The full InChI is InChI=1S/C44H34N4O/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31/h1-11,13-19,21-27,38,46-49H,12,20H2/b40-34-,41-33-,42-36-,44-43-.
What are the key properties of (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol?
(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol has a molecular weight of 634.78 g/mol, XLogP of 7.63, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol is sourced from PubChem (CID 154526848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).