(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin

C40H30N4 — CID 136832644

IUPAC(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
SMILESCC1(C)C2=N/C(=C(/c3ccccc3)C3=N/C(=C(/c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC1=N4)C=C3)C=C2
InChIInChI=1S/C40H30N4/c1-40(2)35-24-22-33(43-35)38(27-14-8-4-9-15-27)31-20-18-29(41-31)37(26-12-6-3-7-13-26)30-19-21-32(42-30)39(28-16-10-5-11-17-28)34-23-25-36(40)44-34/h3-25,41H,1-2H3/b37-30-,38-33-,39-34-
InChIKeyRXWREMGNEZVFJW-RQOHZYOUSA-N
MW566.71 g/mol
LogP9.02
Rot. Bonds3

About (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin

(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin (PubChem CID 136832644) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin.

Molecular Properties

Compound Name(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
PubChem CID136832644
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
SMILESCC1(C)C2=N/C(=C(/c3ccccc3)C3=N/C(=C(/c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC1=N4)C=C3)C=C2
InChIInChI=1S/C40H30N4/c1-40(2)35-24-22-33(43-35)38(27-14-8-4-9-15-27)31-20-18-29(41-31)37(26-12-6-3-7-13-26)30-19-21-32(42-30)39(28-16-10-5-11-17-28)34-23-25-36(40)44-34/h3-25,41H,1-2H3/b37-30-,38-33-,39-34-
InChIKeyRXWREMGNEZVFJW-RQOHZYOUSA-N
XLogP9.02
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin with MolForge

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Related Compounds

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
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
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
(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol
CID 135467032
4-[10-(4-aminophenyl)-15,20-diphenylporphyrin-5-yl]aniline
CID 174830823
3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol
CID 69033109
3-[15-(3-aminophenyl)-10,20-diphenylporphyrin-5-yl]aniline
CID 175303867
(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
(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
CID 10919474
(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
CID 136806099
[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]methanamine
CID 68871391
4-[15,20-bis(4-carboxyphenyl)-10-[4-(dihydroxymethylidene)cyclohexa-2,5-dien-1-ylidene]-23H-porphyrin-5-yl]benzoic acid
CID 135764910

Frequently Asked Questions

What is the IUPAC name of (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin?
The IUPAC name of (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin (CID 136832644) is (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin.
What is the SMILES notation for (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin?
The canonical SMILES for (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin is CC1(C)C2=N/C(=C(/c3ccccc3)C3=N/C(=C(/c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC1=N4)C=C3)C=C2.
What is the InChIKey of (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin?
The InChIKey is RXWREMGNEZVFJW-RQOHZYOUSA-N. The full InChI is InChI=1S/C40H30N4/c1-40(2)35-24-22-33(43-35)38(27-14-8-4-9-15-27)31-20-18-29(41-31)37(26-12-6-3-7-13-26)30-19-21-32(42-30)39(28-16-10-5-11-17-28)34-23-25-36(40)44-34/h3-25,41H,1-2H3/b37-30-,38-33-,39-34-.
What are the key properties of (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin?
(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin has a molecular weight of 566.71 g/mol, XLogP of 9.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin is sourced from PubChem (CID 136832644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).