(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin

C48H40N4 — CID 10919474

IUPAC(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
SMILESCCCCC1(c2ccccc2)c2ccc([nH]2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=c2/cc/c([nH]2)=C(\c2ccccc2)c2ccc1[nH]2
InChIInChI=1S/C48H40N4/c1-2-3-32-48(36-22-14-7-15-23-36)43-30-28-41(51-43)46(34-18-10-5-11-19-34)39-26-24-37(49-39)45(33-16-8-4-9-17-33)38-25-27-40(50-38)47(35-20-12-6-13-21-35)42-29-31-44(48)52-42/h4-31,49,51-52H,2-3,32H2,1H3/b45-37-,46-39-,47-40-
InChIKeyYGDRUZYORMOVDN-MOICECLFSA-N
MW672.88 g/mol
LogP9.43
Rot. Bonds7

About (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin

(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin (PubChem CID 10919474) has the molecular formula C48H40N4 and a molecular weight of 672.88 g/mol. Its IUPAC name is (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin.

Molecular Properties

Compound Name(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
PubChem CID10919474
Molecular FormulaC48H40N4
Molecular Weight672.88 g/mol
Exact Mass672.33
IUPAC Name(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
SMILESCCCCC1(c2ccccc2)c2ccc([nH]2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=c2/cc/c([nH]2)=C(\c2ccccc2)c2ccc1[nH]2
InChIInChI=1S/C48H40N4/c1-2-3-32-48(36-22-14-7-15-23-36)43-30-28-41(51-43)46(34-18-10-5-11-19-34)39-26-24-37(49-39)45(33-16-8-4-9-17-33)38-25-27-40(50-38)47(35-20-12-6-13-21-35)42-29-31-44(48)52-42/h4-31,49,51-52H,2-3,32H2,1H3/b45-37-,46-39-,47-40-
InChIKeyYGDRUZYORMOVDN-MOICECLFSA-N
XLogP9.43
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 59.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin with MolForge

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Related Compounds

(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
(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol
CID 135467032
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
CID 136832644
2,12,22-tris(4-methylphenyl)-7,17,27-tris(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8,10,12,14,16(34),17,19,21,23,25,27,29-hexadecaene
CID 132503776
(2Z,7Z,11Z)-12-(4-iodophenyl)-17,17-dimethyl-2,7-bis(4-methylphenyl)-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13,15,18-decaene
CID 101420093
(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
CID 136806099
2,7,12,17-tetrakis(4-chlorophenyl)-27,28,29-triazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene
CID 135424566
4-[10,15,20-tris(4-aminophenyl)-5,21,22,23-tetrahydroporphyrin-5-yl]aniline
CID 91082782
(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol
CID 154526848
7,12-bis(4-tert-butylphenyl)-19,21-dimethoxy-20-methyl-2,17-diphenyl-23,24,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),2,4,6(25),7,9,11,13(23),14,16,18,20-dodecaene
CID 135627658
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747

Frequently Asked Questions

What is the IUPAC name of (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin?
The IUPAC name of (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin (CID 10919474) is (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin.
What is the SMILES notation for (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin?
The canonical SMILES for (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin is CCCCC1(c2ccccc2)c2ccc([nH]2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=c2/cc/c([nH]2)=C(\c2ccccc2)c2ccc1[nH]2.
What is the InChIKey of (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin?
The InChIKey is YGDRUZYORMOVDN-MOICECLFSA-N. The full InChI is InChI=1S/C48H40N4/c1-2-3-32-48(36-22-14-7-15-23-36)43-30-28-41(51-43)46(34-18-10-5-11-19-34)39-26-24-37(49-39)45(33-16-8-4-9-17-33)38-25-27-40(50-38)47(35-20-12-6-13-21-35)42-29-31-44(48)52-42/h4-31,49,51-52H,2-3,32H2,1H3/b45-37-,46-39-,47-40-.
What are the key properties of (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin?
(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin has a molecular weight of 672.88 g/mol, XLogP of 9.43, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin is sourced from PubChem (CID 10919474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).