10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

C50H38F4N4 — CID 11050991

IUPAC10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(F)cccc4F)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4ccc([nH]4)c(-c4c(F)cccc4F)c4nc2C=C4)C=C3)c(C)c1
InChIInChI=1S/C50H38F4N4/c1-25-21-27(3)43(28(4)22-25)47-35-13-17-39(55-35)49(45-31(51)9-7-10-32(45)52)41-19-15-37(57-41)48(44-29(5)23-26(2)24-30(44)6)38-16-20-42(58-38)50(40-18-14-36(47)56-40)46-33(53)11-8-12-34(46)54/h7-24,55-56H,1-6H3/b47-35+,47-36+,48-37+,48-38+,49-39+,49-41+,50-40+,50-42+
InChIKeyJYGFIFKBXBUFLP-BKCBNECLSA-N
MW770.87 g/mol
LogP13.73
Rot. Bonds4

About 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin (PubChem CID 11050991) has the molecular formula C50H38F4N4 and a molecular weight of 770.87 g/mol. Its IUPAC name is 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
PubChem CID11050991
Molecular FormulaC50H38F4N4
Molecular Weight770.87 g/mol
Exact Mass770.30
IUPAC Name10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(F)cccc4F)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4ccc([nH]4)c(-c4c(F)cccc4F)c4nc2C=C4)C=C3)c(C)c1
InChIInChI=1S/C50H38F4N4/c1-25-21-27(3)43(28(4)22-25)47-35-13-17-39(55-35)49(45-31(51)9-7-10-32(45)52)41-19-15-37(57-41)48(44-29(5)23-26(2)24-30(44)6)38-16-20-42(58-38)50(40-18-14-36(47)56-40)46-33(53)11-8-12-34(46)54/h7-24,55-56H,1-6H3/b47-35+,47-36+,48-37+,48-38+,49-39+,49-41+,50-40+,50-42+
InChIKeyJYGFIFKBXBUFLP-BKCBNECLSA-N
XLogP13.73
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.87
LogP ≤ 513.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-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
5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135490543
5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252
3-[5,15-bis(2,4,6-trimethylphenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
CID 11814204
5-(3,5-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11029253
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
5,10,15-tris(2,6-difluorophenyl)-20-(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin
CID 136880995
10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 10699782
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
3,5-dimethyl-4-[10,15,20-tris(4-cyano-2,6-dimethylphenyl)-21,24-dihydroporphyrin-5-yl]benzonitrile
CID 10771772
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
N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
CID 137081692

Frequently Asked Questions

What is the IUPAC name of 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin?
The IUPAC name of 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin (CID 11050991) is 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin?
The canonical SMILES for 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin is Cc1cc(C)c(-c2c3nc(c(-c4c(F)cccc4F)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4ccc([nH]4)c(-c4c(F)cccc4F)c4nc2C=C4)C=C3)c(C)c1.
What is the InChIKey of 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin?
The InChIKey is JYGFIFKBXBUFLP-BKCBNECLSA-N. The full InChI is InChI=1S/C50H38F4N4/c1-25-21-27(3)43(28(4)22-25)47-35-13-17-39(55-35)49(45-31(51)9-7-10-32(45)52)41-19-15-37(57-41)48(44-29(5)23-26(2)24-30(44)6)38-16-20-42(58-38)50(40-18-14-36(47)56-40)46-33(53)11-8-12-34(46)54/h7-24,55-56H,1-6H3/b47-35+,47-36+,48-37+,48-38+,49-39+,49-41+,50-40+,50-42+.
What are the key properties of 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin?
10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin has a molecular weight of 770.87 g/mol, XLogP of 13.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 11050991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).