4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline

C100H82N8 — CID 101169394

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4nc(c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5ccc([nH]5)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nc(c(-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C100H82N8/c1-65-9-33-77(34-10-65)105(78-35-11-66(2)12-36-78)85-49-25-73(26-50-85)97-89-57-59-91(101-89)98(74-27-51-86(52-28-74)106(79-37-13-67(3)14-38-79)80-39-15-68(4)16-40-80)93-61-63-95(103-93)100(76-31-55-88(56-32-76)108(83-45-21-71(7)22-46-83)84-47-23-72(8)24-48-84)96-64-62-94(104-96)99(92-60-58-90(97)102-92)75-29-53-87(54-30-75)107(81-41-17-69(5)18-42-81)82-43-19-70(6)20-44-82/h9-64,101,104H,1-8H3/b97-89-,97-90-,98-91-,98-93-,99-92-,99-94-,100-95-,100-96-
InChIKeyNWYGSYQTXKVRNQ-YCEIBDQGSA-N
MW1395.81 g/mol
LogP27.67
Rot. Bonds16

About 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline (PubChem CID 101169394) has the molecular formula C100H82N8 and a molecular weight of 1395.81 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
PubChem CID101169394
Molecular FormulaC100H82N8
Molecular Weight1395.81 g/mol
Exact Mass1394.67
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4nc(c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5ccc([nH]5)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nc(c(-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C100H82N8/c1-65-9-33-77(34-10-65)105(78-35-11-66(2)12-36-78)85-49-25-73(26-50-85)97-89-57-59-91(101-89)98(74-27-51-86(52-28-74)106(79-37-13-67(3)14-38-79)80-39-15-68(4)16-40-80)93-61-63-95(103-93)100(76-31-55-88(56-32-76)108(83-45-21-71(7)22-46-83)84-47-23-72(8)24-48-84)96-64-62-94(104-96)99(92-60-58-90(97)102-92)75-29-53-87(54-30-75)107(81-41-17-69(5)18-42-81)82-43-19-70(6)20-44-82/h9-64,101,104H,1-8H3/b97-89-,97-90-,98-91-,98-93-,99-92-,99-94-,100-95-,100-96-
InChIKeyNWYGSYQTXKVRNQ-YCEIBDQGSA-N
XLogP27.67
TPSA70.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.81
LogP ≤ 527.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline with MolForge

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Related Compounds

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
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
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
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315
[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
CID 135508187
[4-[10,20-bis(4-methylphenyl)-15-(4-phosphonophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phosphonic acid
CID 136948391
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]aniline
CID 137251512

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline (CID 101169394) is 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4nc(c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5ccc([nH]5)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nc(c(-c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
The InChIKey is NWYGSYQTXKVRNQ-YCEIBDQGSA-N. The full InChI is InChI=1S/C100H82N8/c1-65-9-33-77(34-10-65)105(78-35-11-66(2)12-36-78)85-49-25-73(26-50-85)97-89-57-59-91(101-89)98(74-27-51-86(52-28-74)106(79-37-13-67(3)14-38-79)80-39-15-68(4)16-40-80)93-61-63-95(103-93)100(76-31-55-88(56-32-76)108(83-45-21-71(7)22-46-83)84-47-23-72(8)24-48-84)96-64-62-94(104-96)99(92-60-58-90(97)102-92)75-29-53-87(54-30-75)107(81-41-17-69(5)18-42-81)82-43-19-70(6)20-44-82/h9-64,101,104H,1-8H3/b97-89-,97-90-,98-91-,98-93-,99-92-,99-94-,100-95-,100-96-.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline has a molecular weight of 1395.81 g/mol, XLogP of 27.67, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline is sourced from PubChem (CID 101169394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).