5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin

C62H48I2N4 — CID 137072443

IUPAC5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin
SMILESICCCc1ccc(-c2c3nc(c(-c4ccc(-c5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(CCCI)cc4)c4nc(c(-c5ccc(-c6ccccc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C62H48I2N4/c63-39-7-9-41-15-19-47(20-16-41)59-51-31-35-55(65-51)61(49-27-23-45(24-28-49)43-11-3-1-4-12-43)56-36-32-52(66-56)60(48-21-17-42(18-22-48)10-8-40-64)54-34-38-58(68-54)62(57-37-33-53(59)67-57)50-29-25-46(26-30-50)44-13-5-2-6-14-44/h1-6,11-38,65,68H,7-10,39-40H2/b59-51-,59-53-,60-52-,60-54-,61-55-,61-56-,62-57-,62-58-
InChIKeyXESRESRJEXNSBN-LLZPMGHPSA-N
MW1102.90 g/mol
LogP17.39
Rot. Bonds12

About 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin

5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin (PubChem CID 137072443) has the molecular formula C62H48I2N4 and a molecular weight of 1102.90 g/mol. Its IUPAC name is 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin
PubChem CID137072443
Molecular FormulaC62H48I2N4
Molecular Weight1102.90 g/mol
Exact Mass1102.20
IUPAC Name5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin
SMILESICCCc1ccc(-c2c3nc(c(-c4ccc(-c5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(CCCI)cc4)c4nc(c(-c5ccc(-c6ccccc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C62H48I2N4/c63-39-7-9-41-15-19-47(20-16-41)59-51-31-35-55(65-51)61(49-27-23-45(24-28-49)43-11-3-1-4-12-43)56-36-32-52(66-56)60(48-21-17-42(18-22-48)10-8-40-64)54-34-38-58(68-54)62(57-37-33-53(59)67-57)50-29-25-46(26-30-50)44-13-5-2-6-14-44/h1-6,11-38,65,68H,7-10,39-40H2/b59-51-,59-53-,60-52-,60-54-,61-55-,61-56-,62-57-,62-58-
InChIKeyXESRESRJEXNSBN-LLZPMGHPSA-N
XLogP17.39
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.90
LogP ≤ 517.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin
CID 11593008
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 136801783
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135782729
S-[5-[4-[10,15,20-tris[4-(5-acetylsulfanylpentyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]pentyl] ethanethioate
CID 135424303
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
5,10,15-triphenyl-20-(4-prop-2-enoxyphenyl)-21,23-dihydroporphyrin
CID 136732211

Frequently Asked Questions

What is the IUPAC name of 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin (CID 137072443) is 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin is ICCCc1ccc(-c2c3nc(c(-c4ccc(-c5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(CCCI)cc4)c4nc(c(-c5ccc(-c6ccccc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin?
The InChIKey is XESRESRJEXNSBN-LLZPMGHPSA-N. The full InChI is InChI=1S/C62H48I2N4/c63-39-7-9-41-15-19-47(20-16-41)59-51-31-35-55(65-51)61(49-27-23-45(24-28-49)43-11-3-1-4-12-43)56-36-32-52(66-56)60(48-21-17-42(18-22-48)10-8-40-64)54-34-38-58(68-54)62(57-37-33-53(59)67-57)50-29-25-46(26-30-50)44-13-5-2-6-14-44/h1-6,11-38,65,68H,7-10,39-40H2/b59-51-,59-53-,60-52-,60-54-,61-55-,61-56-,62-57-,62-58-.
What are the key properties of 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin?
5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin has a molecular weight of 1102.90 g/mol, XLogP of 17.39, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 137072443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).