4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline

C80H60N10 — CID 59227236

IUPAC4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4nc(c(-c5ccc(-c6ccccn6)nc5)c5ccc([nH]5)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nc(c(-c6ccc(-c7ccccn7)nc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C80H60N10/c1-51-11-25-59(26-12-51)89(60-27-13-52(2)14-28-60)63-33-19-55(20-34-63)77-69-39-43-73(85-69)79(57-23-37-67(83-49-57)65-9-5-7-47-81-65)75-45-41-71(87-75)78(56-21-35-64(36-22-56)90(61-29-15-53(3)16-30-61)62-31-17-54(4)18-32-62)72-42-46-76(88-72)80(74-44-40-70(77)86-74)58-24-38-68(84-50-58)66-10-6-8-48-82-66/h5-50,85,88H,1-4H3/b77-69-,77-70-,78-71-,78-72-,79-73-,79-75-,80-74-,80-76-
InChIKeyZKDXQRWDCGPFEH-QUJKDXNVSA-N
MW1161.43 g/mol
LogP20.41
Rot. Bonds12

About 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 59227236) has the molecular formula C80H60N10 and a molecular weight of 1161.43 g/mol. Its IUPAC name is 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline
PubChem CID59227236
Molecular FormulaC80H60N10
Molecular Weight1161.43 g/mol
Exact Mass1160.50
IUPAC Name4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4nc(c(-c5ccc(-c6ccccn6)nc5)c5ccc([nH]5)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nc(c(-c6ccc(-c7ccccn7)nc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C80H60N10/c1-51-11-25-59(26-12-51)89(60-27-13-52(2)14-28-60)63-33-19-55(20-34-63)77-69-39-43-73(85-69)79(57-23-37-67(83-49-57)65-9-5-7-47-81-65)75-45-41-71(87-75)78(56-21-35-64(36-22-56)90(61-29-15-53(3)16-30-61)62-31-17-54(4)18-32-62)72-42-46-76(88-72)80(74-44-40-70(77)86-74)58-24-38-68(84-50-58)66-10-6-8-48-82-66/h5-50,85,88H,1-4H3/b77-69-,77-70-,78-71-,78-72-,79-73-,79-75-,80-74-,80-76-
InChIKeyZKDXQRWDCGPFEH-QUJKDXNVSA-N
XLogP20.41
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.43
LogP ≤ 520.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline (CID 59227236) is 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4nc(c(-c5ccc(-c6ccccn6)nc5)c5ccc([nH]5)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nc(c(-c6ccc(-c7ccccn7)nc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is ZKDXQRWDCGPFEH-QUJKDXNVSA-N. The full InChI is InChI=1S/C80H60N10/c1-51-11-25-59(26-12-51)89(60-27-13-52(2)14-28-60)63-33-19-55(20-34-63)77-69-39-43-73(85-69)79(57-23-37-67(83-49-57)65-9-5-7-47-81-65)75-45-41-71(87-75)78(56-21-35-64(36-22-56)90(61-29-15-53(3)16-30-61)62-31-17-54(4)18-32-62)72-42-46-76(88-72)80(74-44-40-70(77)86-74)58-24-38-68(84-50-58)66-10-6-8-48-82-66/h5-50,85,88H,1-4H3/b77-69-,77-70-,78-71-,78-72-,79-73-,79-75-,80-74-,80-76-.
What are the key properties of 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline?
4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 1161.43 g/mol, XLogP of 20.41, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[15-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10,20-bis(6-pyridin-2-yl-3-pyridinyl)-21,23-dihydroporphyrin-5-yl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59227236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).