(5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin

C44H32N4 — CID 59103322

IUPAC(5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin
SMILESC1=CC2N=C1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1ccc([nH]1)C(c1ccccc1)C1=N/C(=C\2c2ccccc2)C=C1
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,43,47-48H/b41-34-,42-37-,44-39-
InChIKeyQJQQSZVLYSNQKC-SNAQNICLSA-N
MW616.77 g/mol
LogP7.74
Rot. Bonds4

About (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin

(5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin (PubChem CID 59103322) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin.

Molecular Properties

Compound Name(5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin
PubChem CID59103322
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Name(5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin
SMILESC1=CC2N=C1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1ccc([nH]1)C(c1ccccc1)C1=N/C(=C\2c2ccccc2)C=C1
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,43,47-48H/b41-34-,42-37-,44-39-
InChIKeyQJQQSZVLYSNQKC-SNAQNICLSA-N
XLogP7.74
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin with MolForge

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Related Compounds

(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
CID 136806099
5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin
CID 135534838
4-[10,15,20-tris(4-aminophenyl)-5,21,22,23-tetrahydroporphyrin-5-yl]aniline
CID 91082782
4-[(9Z,15Z,19Z)-10,15,20-tris(4-carboxyphenyl)-4,22,23,24-tetrahydroporphyrin-5-yl]benzoic acid
CID 123916616
(1Z,12Z,17Z)-2,7,12,17-tetrakis(4-methylphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,8,10,12,14,16(22),17,19-decaene
CID 102191314
(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
4-[(E)-2-(5,10,15,20-tetraphenyl-10,23-dihydroporphyrin-2-yl)ethenyl]phthalic acid
CID 158249467
(9Z,15Z,19Z)-5-tert-butyl-10,20-bis(3-methoxyphenyl)-15-phenyl-5,21,23,24-tetrahydroporphyrin
CID 135863003
(2Z,6Z,11Z)-2,7,12,17-tetraphenyl-21,22-dioxa-23,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8(23),9,11,13,15,18-decaene
CID 163197084
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-[(10Z)-10,20-bis(4-hydroxyphenyl)-15-(4-methylphenyl)-4,5,19,20,22,23-hexahydroporphyrin-5-yl]phenol
CID 158155383
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin?
The IUPAC name of (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin (CID 59103322) is (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin.
What is the SMILES notation for (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin?
The canonical SMILES for (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin is C1=CC2N=C1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1ccc([nH]1)C(c1ccccc1)C1=N/C(=C\2c2ccccc2)C=C1.
What is the InChIKey of (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin?
The InChIKey is QJQQSZVLYSNQKC-SNAQNICLSA-N. The full InChI is InChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,43,47-48H/b41-34-,42-37-,44-39-.
What are the key properties of (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin?
(5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin has a molecular weight of 616.77 g/mol, XLogP of 7.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin is sourced from PubChem (CID 59103322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).