5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin

C52H46N4 — CID 135490543

IUPAC5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4ccccc4C)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5ccccc5C)c5ccc2[nH]5)C=C4)C=C3)c(C)c1
InChIInChI=1S/C52H46N4/c1-29-25-33(5)47(34(6)26-29)51-43-21-17-39(53-43)49(37-15-11-9-13-31(37)3)41-19-23-45(55-41)52(48-35(7)27-30(2)28-36(48)8)46-24-20-42(56-46)50(40-18-22-44(51)54-40)38-16-12-10-14-32(38)4/h9-28,53,56H,1-8H3/b49-39-,49-41-,50-40-,50-42-,51-43+,51-44+,52-45+,52-46+
InChIKeyPQULQCQHVKPIQI-ZABGCZTGSA-N
MW726.97 g/mol
LogP13.79
Rot. Bonds4

About 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin

5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin (PubChem CID 135490543) has the molecular formula C52H46N4 and a molecular weight of 726.97 g/mol. Its IUPAC name is 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
PubChem CID135490543
Molecular FormulaC52H46N4
Molecular Weight726.97 g/mol
Exact Mass726.37
IUPAC Name5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4ccccc4C)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5ccccc5C)c5ccc2[nH]5)C=C4)C=C3)c(C)c1
InChIInChI=1S/C52H46N4/c1-29-25-33(5)47(34(6)26-29)51-43-21-17-39(53-43)49(37-15-11-9-13-31(37)3)41-19-23-45(55-41)52(48-35(7)27-30(2)28-36(48)8)46-24-20-42(56-46)50(40-18-22-44(51)54-40)38-16-12-10-14-32(38)4/h9-28,53,56H,1-8H3/b49-39-,49-41-,50-40-,50-42-,51-43+,51-44+,52-45+,52-46+
InChIKeyPQULQCQHVKPIQI-ZABGCZTGSA-N
XLogP13.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.97
LogP ≤ 513.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

11,12-diphenyl-6,17-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrazapentacyclo[16.2.1.12,5.17,10.113,16]tetracosa-1,3,5,7(23),8,10,12,14,16,18(21),19-undecaene
CID 177402176
5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252
10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11050991
6,16-bis(2,4,6-trimethylphenyl)-11-thia-20,21,22,23-tetrazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),2,4,6,8,10(22),12(21),13,15,17-decaene
CID 102221559
33,59,68,81-tetrakis(2,4,6-trimethylphenyl)-8,10,13,16,19,21,45,47,73,74,75,76,86,87,90,93,96,97-octadecazahexadecacyclo[52.9.9.928,38.810,19.129,32.134,37.155,58.160,63.164,67.169,72.02,7.022,27.039,44.048,53.177,80.182,85]heptanonaconta-1(63),2,4,6,22,24,26,28(85),29,31,33,35,37(86),38(77),39,41,43,48,50,52,54,56,58,60(75),61,64,66,68,70,72,78,80,82(96),83-tetratriacontaene-9,20,46-trione
CID 177487589
5-(3,5-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11029253
19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene
CID 137125356
10,15,24,29-tetrakis(2,4,6-trimethylphenyl)-34,37-dithia-33,35,36,38,39-pentazaoctacyclo[28.2.1.12,5.16,9.111,14.116,19.120,23.125,28]nonatriaconta-1(32),2(39),3,5,7,9,11,13,15,17,19,21,23(35),24,26,28,30-heptadecaene
CID 136746596
N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
CID 137081692
3-[5,15-bis(2,4,6-trimethylphenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
CID 11814204
2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 101014025
5,10,15-tris(2,4,6-trimethylphenyl)-20-[2-[6-[2-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]pyrimidin-4-yl]ethynyl]-21,23-dihydroporphyrin
CID 122371197

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin (CID 135490543) is 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin is Cc1cc(C)c(-c2c3nc(c(-c4ccccc4C)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5ccccc5C)c5ccc2[nH]5)C=C4)C=C3)c(C)c1.
What is the InChIKey of 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The InChIKey is PQULQCQHVKPIQI-ZABGCZTGSA-N. The full InChI is InChI=1S/C52H46N4/c1-29-25-33(5)47(34(6)26-29)51-43-21-17-39(53-43)49(37-15-11-9-13-31(37)3)41-19-23-45(55-41)52(48-35(7)27-30(2)28-36(48)8)46-24-20-42(56-46)50(40-18-22-44(51)54-40)38-16-12-10-14-32(38)4/h9-28,53,56H,1-8H3/b49-39-,49-41-,50-40-,50-42-,51-43+,51-44+,52-45+,52-46+.
What are the key properties of 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin has a molecular weight of 726.97 g/mol, XLogP of 13.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135490543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).