N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline

C60H66N8 — CID 137081692

IUPACN,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
SMILESCc1cc(N(C)C)cc(C)c1-c1c2nc(c(-c3c(C)cc(N(C)C)cc3C)c3ccc([nH]3)c(-c3c(C)cc(N(C)C)cc3C)c3nc(c(-c4c(C)cc(N(C)C)cc4C)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C60H66N8/c1-33-25-41(65(9)10)26-34(2)53(33)57-45-17-19-47(61-45)58(54-35(3)27-42(66(11)12)28-36(54)4)49-21-23-51(63-49)60(56-39(7)31-44(68(15)16)32-40(56)8)52-24-22-50(64-52)59(48-20-18-46(57)62-48)55-37(5)29-43(67(13)14)30-38(55)6/h17-32,61,64H,1-16H3/b57-45+,57-46+,58-47+,58-49+,59-48+,59-50+,60-51+,60-52+
InChIKeyXCKLBPYIIFUMSF-YDHMRBOZSA-N
MW899.24 g/mol
LogP14.05
Rot. Bonds8

About N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline

N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline (PubChem CID 137081692) has the molecular formula C60H66N8 and a molecular weight of 899.24 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
PubChem CID137081692
Molecular FormulaC60H66N8
Molecular Weight899.24 g/mol
Exact Mass898.54
IUPAC NameN,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
SMILESCc1cc(N(C)C)cc(C)c1-c1c2nc(c(-c3c(C)cc(N(C)C)cc3C)c3ccc([nH]3)c(-c3c(C)cc(N(C)C)cc3C)c3nc(c(-c4c(C)cc(N(C)C)cc4C)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C60H66N8/c1-33-25-41(65(9)10)26-34(2)53(33)57-45-17-19-47(61-45)58(54-35(3)27-42(66(11)12)28-36(54)4)49-21-23-51(63-49)60(56-39(7)31-44(68(15)16)32-40(56)8)52-24-22-50(64-52)59(48-20-18-46(57)62-48)55-37(5)29-43(67(13)14)30-38(55)6/h17-32,61,64H,1-16H3/b57-45+,57-46+,58-47+,58-49+,59-48+,59-50+,60-51+,60-52+
InChIKeyXCKLBPYIIFUMSF-YDHMRBOZSA-N
XLogP14.05
TPSA70.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.24
LogP ≤ 514.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252
N-[4-[15-[4-[acetyl(methyl)amino]-2,6-dimethoxyphenyl]-10,20-bis[4-[acetyl(methyl)amino]-2-methoxy-6-methylphenyl]-21,23-dihydroporphyrin-5-yl]-3,5-dimethylphenyl]-N-methylacetamide
CID 137130440
3,5-dimethyl-4-[10,15,20-tris(4-cyano-2,6-dimethylphenyl)-21,24-dihydroporphyrin-5-yl]benzonitrile
CID 10771772
5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135490543
10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11050991
4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]-N,N-bis[4-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]phenyl]aniline
CID 102500799
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-(3,5-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11029253
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
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
[3-[10,20-bis(2,6-dihydroxyphenyl)-15-[3-(dimethylamino)-5-(trimethylazaniumyl)phenyl]-21,23-dihydroporphyrin-5-yl]-5-(dimethylamino)phenyl]-trimethylazanium
CID 136929561
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline?
The IUPAC name of N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline (CID 137081692) is N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline.
What is the SMILES notation for N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline?
The canonical SMILES for N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline is Cc1cc(N(C)C)cc(C)c1-c1c2nc(c(-c3c(C)cc(N(C)C)cc3C)c3ccc([nH]3)c(-c3c(C)cc(N(C)C)cc3C)c3nc(c(-c4c(C)cc(N(C)C)cc4C)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline?
The InChIKey is XCKLBPYIIFUMSF-YDHMRBOZSA-N. The full InChI is InChI=1S/C60H66N8/c1-33-25-41(65(9)10)26-34(2)53(33)57-45-17-19-47(61-45)58(54-35(3)27-42(66(11)12)28-36(54)4)49-21-23-51(63-49)60(56-39(7)31-44(68(15)16)32-40(56)8)52-24-22-50(64-52)59(48-20-18-46(57)62-48)55-37(5)29-43(67(13)14)30-38(55)6/h17-32,61,64H,1-16H3/b57-45+,57-46+,58-47+,58-49+,59-48+,59-50+,60-51+,60-52+.
What are the key properties of N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline?
N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline has a molecular weight of 899.24 g/mol, XLogP of 14.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline is sourced from PubChem (CID 137081692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).