4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide

C95H63N11O2 — CID 101434636

IUPAC4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)n1)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C95H63N11O2/c107-94(66-38-34-64(35-39-66)92-80-54-50-76(100-80)88(60-24-11-3-12-25-60)72-46-42-68(96-72)86(58-20-7-1-8-21-58)69-43-47-73(97-69)89(61-26-13-4-14-27-61)77-51-55-81(92)101-77)105-84-32-19-33-85(104-84)106-95(108)67-40-36-65(37-41-67)93-82-56-52-78(102-82)90(62-28-15-5-16-29-62)74-48-44-70(98-74)87(59-22-9-2-10-23-59)71-45-49-75(99-71)91(63-30-17-6-18-31-63)79-53-57-83(93)103-79/h1-57,96,98,101,103H,(H2,104,105,106,107,108)/b86-68-,86-69-,87-70-,87-71-,88-72-,88-76-,89-73-,89-77-,90-74-,90-78-,91-75-,91-79-,92-80-,92-81-,93-82-,93-83-
InChIKeyDGDLDUZPURKJRY-JFRKRNRQSA-N
MW1390.62 g/mol
LogP22.86
Rot. Bonds12

About 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide

4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide (PubChem CID 101434636) has the molecular formula C95H63N11O2 and a molecular weight of 1390.62 g/mol. Its IUPAC name is 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide
PubChem CID101434636
Molecular FormulaC95H63N11O2
Molecular Weight1390.62 g/mol
Exact Mass1389.52
IUPAC Name4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)n1)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C95H63N11O2/c107-94(66-38-34-64(35-39-66)92-80-54-50-76(100-80)88(60-24-11-3-12-25-60)72-46-42-68(96-72)86(58-20-7-1-8-21-58)69-43-47-73(97-69)89(61-26-13-4-14-27-61)77-51-55-81(92)101-77)105-84-32-19-33-85(104-84)106-95(108)67-40-36-65(37-41-67)93-82-56-52-78(102-82)90(62-28-15-5-16-29-62)74-48-44-70(98-74)87(59-22-9-2-10-23-59)71-45-49-75(99-71)91(63-30-17-6-18-31-63)79-53-57-83(93)103-79/h1-57,96,98,101,103H,(H2,104,105,106,107,108)/b86-68-,86-69-,87-70-,87-71-,88-72-,88-76-,89-73-,89-77-,90-74-,90-78-,91-75-,91-79-,92-80-,92-81-,93-82-,93-83-
InChIKeyDGDLDUZPURKJRY-JFRKRNRQSA-N
XLogP22.86
TPSA185.81 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.62
LogP ≤ 522.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide with MolForge

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Related Compounds

N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 136642660
4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
methyl 4-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzoate
CID 171991341
N-[4-[10,15,20-tris(1-methylpyridin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]benzamide
CID 135530790
N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide
CID 11319668
4-[10,20-bis(4-tert-butylphenyl)-15-(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 137211640
N-(2-aminoethyl)-4-[10,15,20-tris[4-(2-aminoethylcarbamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzamide
CID 135430515
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
CID 136884117
CID 175208777
CID 175208777
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 135449311
N-(1,3-dihydroxypropan-2-yl)-4-[10,15,20-tris[4-(1,3-dihydroxypropan-2-ylcarbamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzamide
CID 135431105

Frequently Asked Questions

What is the IUPAC name of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide?
The IUPAC name of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide (CID 101434636) is 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide?
The canonical SMILES for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide is O=C(Nc1cccc(NC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)n1)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide?
The InChIKey is DGDLDUZPURKJRY-JFRKRNRQSA-N. The full InChI is InChI=1S/C95H63N11O2/c107-94(66-38-34-64(35-39-66)92-80-54-50-76(100-80)88(60-24-11-3-12-25-60)72-46-42-68(96-72)86(58-20-7-1-8-21-58)69-43-47-73(97-69)89(61-26-13-4-14-27-61)77-51-55-81(92)101-77)105-84-32-19-33-85(104-84)106-95(108)67-40-36-65(37-41-67)93-82-56-52-78(102-82)90(62-28-15-5-16-29-62)74-48-44-70(98-74)87(59-22-9-2-10-23-59)71-45-49-75(99-71)91(63-30-17-6-18-31-63)79-53-57-83(93)103-79/h1-57,96,98,101,103H,(H2,104,105,106,107,108)/b86-68-,86-69-,87-70-,87-71-,88-72-,88-76-,89-73-,89-77-,90-74-,90-78-,91-75-,91-79-,92-80-,92-81-,93-82-,93-83-.
What are the key properties of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide?
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide has a molecular weight of 1390.62 g/mol, XLogP of 22.86, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 101434636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).