8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin

C64H74N8 — CID 135448344

IUPAC8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin
SMILESCCCCCCc1c2nc(cc3ccc([nH]3)c(CCCCCC)c3nc(cc4ccc1[nH]4)C(c1c4nc(c(CCCCCC)c5ccc(cc6nc(c(CCCCCC)c7ccc1[nH]7)C=C6)[nH]5)C=C4)=C3)C=C2
InChIInChI=1S/C64H74N8/c1-5-9-13-17-21-48-53-30-25-43(65-53)40-46-28-33-57(68-46)51(24-20-16-12-8-4)63-42-52(62(72-63)41-47-29-34-54(48)69-47)64-60-37-35-58(70-60)49(22-18-14-10-6-2)55-31-26-44(66-55)39-45-27-32-56(67-45)50(23-19-15-11-7-3)59-36-38-61(64)71-59/h25-42,66,68-69,71H,5-24H2,1-4H3/b43-40-,44-39-,45-39-,46-40-,47-41-,53-48-,54-48-,55-49-,56-50-,57-51-,58-49-,59-50-,62-41-,63-51-,64-60-,64-61-
InChIKeyYDLHWLLFRYZQPC-OFOQLTFFSA-N
MW955.35 g/mol
LogP17.53
Rot. Bonds21

About 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin

8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin (PubChem CID 135448344) has the molecular formula C64H74N8 and a molecular weight of 955.35 g/mol. Its IUPAC name is 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin
PubChem CID135448344
Molecular FormulaC64H74N8
Molecular Weight955.35 g/mol
Exact Mass954.60
IUPAC Name8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin
SMILESCCCCCCc1c2nc(cc3ccc([nH]3)c(CCCCCC)c3nc(cc4ccc1[nH]4)C(c1c4nc(c(CCCCCC)c5ccc(cc6nc(c(CCCCCC)c7ccc1[nH]7)C=C6)[nH]5)C=C4)=C3)C=C2
InChIInChI=1S/C64H74N8/c1-5-9-13-17-21-48-53-30-25-43(65-53)40-46-28-33-57(68-46)51(24-20-16-12-8-4)63-42-52(62(72-63)41-47-29-34-54(48)69-47)64-60-37-35-58(70-60)49(22-18-14-10-6-2)55-31-26-44(66-55)39-45-27-32-56(67-45)50(23-19-15-11-7-3)59-36-38-61(64)71-59/h25-42,66,68-69,71H,5-24H2,1-4H3/b43-40-,44-39-,45-39-,46-40-,47-41-,53-48-,54-48-,55-49-,56-50-,57-51-,58-49-,59-50-,62-41-,63-51-,64-60-,64-61-
InChIKeyYDLHWLLFRYZQPC-OFOQLTFFSA-N
XLogP17.53
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.35
LogP ≤ 517.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

10-hexyl-15-(4-methylphenyl)-5-(2,4,6-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135863103
5-(3,5-dimethoxyphenyl)-15-hexyl-21,22-dihydroporphyrin
CID 86056630
4-[10,20-bis(3,5-dihexylphenyl)-15-ethyl-21,23-dihydroporphyrin-5-yl]aniline;5,15-bis(3,5-dihexylphenyl)-10-(4-methylphenyl)-21,23-dihydroporphyrin;molecular hydrogen
CID 158740197
15-butyl-5-tert-butyl-21,22-dihydroporphyrin
CID 46184275
10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 10699782
5,10,15,20-tetra(tridecyl)-21,22-dihydroporphyrin
CID 86045230
5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin
CID 136682901
10-(5-bromopentyl)-21,22-dihydroporphyrin
CID 163539540
(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane
CID 71518795
5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653
5,15-bis(4-ethynylphenyl)-10,20-dipentyl-21,22-dihydroporphyrin
CID 136754225

Frequently Asked Questions

What is the IUPAC name of 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin?
The IUPAC name of 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin (CID 135448344) is 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin.
What is the SMILES notation for 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin?
The canonical SMILES for 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin is CCCCCCc1c2nc(cc3ccc([nH]3)c(CCCCCC)c3nc(cc4ccc1[nH]4)C(c1c4nc(c(CCCCCC)c5ccc(cc6nc(c(CCCCCC)c7ccc1[nH]7)C=C6)[nH]5)C=C4)=C3)C=C2.
What is the InChIKey of 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin?
The InChIKey is YDLHWLLFRYZQPC-OFOQLTFFSA-N. The full InChI is InChI=1S/C64H74N8/c1-5-9-13-17-21-48-53-30-25-43(65-53)40-46-28-33-57(68-46)51(24-20-16-12-8-4)63-42-52(62(72-63)41-47-29-34-54(48)69-47)64-60-37-35-58(70-60)49(22-18-14-10-6-2)55-31-26-44(66-55)39-45-27-32-56(67-45)50(23-19-15-11-7-3)59-36-38-61(64)71-59/h25-42,66,68-69,71H,5-24H2,1-4H3/b43-40-,44-39-,45-39-,46-40-,47-41-,53-48-,54-48-,55-49-,56-50-,57-51-,58-49-,59-50-,62-41-,63-51-,64-60-,64-61-.
What are the key properties of 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin?
8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin has a molecular weight of 955.35 g/mol, XLogP of 17.53, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135448344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).