dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide

C85H70F6I2N8Zn2 — CID 59227212

IUPACdizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide
SMILESCC1=C(C)c2nc1cc1[n-]c(c(C)c1C)c(-c1ccc3c(c1)C(C)(C)c1cc(-c4c5nc(cc6[n-]c(c(C)c6C)c(I)c6nc(c(-c7ccccc7C(F)(F)F)c7[n-]c4c(C)c7C)C(C)=C6C)C(C)=C5C)ccc1-3)c1nc(c(-c3ccccc3C(F)(F)F)c3[n-]c(c(C)c3C)c2I)C(C)=C1C.[Zn+2].[Zn+2]
InChIInChI=1S/C85H70F6I2N8.2Zn/c1-35-39(5)71-65(73-43(9)45(11)75(98-73)67(55-23-19-21-25-57(55)84(86,87)88)77-47(13)49(15)81(100-77)69(92)79-41(7)37(3)63(96-79)33-61(35)94-71)51-27-29-53-54-30-28-52(32-60(54)83(17,18)59(53)31-51)66-72-40(6)36(2)62(95-72)34-64-38(4)42(8)80(97-64)70(93)82-50(16)48(14)78(101-82)68(76-46(12)44(10)74(66)99-76)56-24-20-22-26-58(56)85(89,90)91;;/h19-34H,1-18H3;;/q-4;2*+2/b61-33-,62-34-,63-33-,64-34-,71-65-,72-66-,73-65-,74-66-,75-67-,76-68-,77-67-,78-68-,79-69+,80-70+,81-69+,82-70+;;
InChIKeyGNZQAELISNLEMW-XFFSVXFQSA-N
MW1702.13 g/mol
LogP23.95
Rot. Bonds4

About dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide

dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide (PubChem CID 59227212) has the molecular formula C85H70F6I2N8Zn2 and a molecular weight of 1702.13 g/mol. Its IUPAC name is dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide.

Molecular Properties

Compound Namedizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide
PubChem CID59227212
Molecular FormulaC85H70F6I2N8Zn2
Molecular Weight1702.13 g/mol
Exact Mass1698.23
IUPAC Namedizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide
SMILESCC1=C(C)c2nc1cc1[n-]c(c(C)c1C)c(-c1ccc3c(c1)C(C)(C)c1cc(-c4c5nc(cc6[n-]c(c(C)c6C)c(I)c6nc(c(-c7ccccc7C(F)(F)F)c7[n-]c4c(C)c7C)C(C)=C6C)C(C)=C5C)ccc1-3)c1nc(c(-c3ccccc3C(F)(F)F)c3[n-]c(c(C)c3C)c2I)C(C)=C1C.[Zn+2].[Zn+2]
InChIInChI=1S/C85H70F6I2N8.2Zn/c1-35-39(5)71-65(73-43(9)45(11)75(98-73)67(55-23-19-21-25-57(55)84(86,87)88)77-47(13)49(15)81(100-77)69(92)79-41(7)37(3)63(96-79)33-61(35)94-71)51-27-29-53-54-30-28-52(32-60(54)83(17,18)59(53)31-51)66-72-40(6)36(2)62(95-72)34-64-38(4)42(8)80(97-64)70(93)82-50(16)48(14)78(101-82)68(76-46(12)44(10)74(66)99-76)56-24-20-22-26-58(56)85(89,90)91;;/h19-34H,1-18H3;;/q-4;2*+2/b61-33-,62-34-,63-33-,64-34-,71-65-,72-66-,73-65-,74-66-,75-67-,76-68-,77-67-,78-68-,79-69+,80-70+,81-69+,82-70+;;
InChIKeyGNZQAELISNLEMW-XFFSVXFQSA-N
XLogP23.95
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001702.13
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide with MolForge

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Frequently Asked Questions

What is the IUPAC name of dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide?
The IUPAC name of dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide (CID 59227212) is dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide.
What is the SMILES notation for dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide?
The canonical SMILES for dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide is CC1=C(C)c2nc1cc1[n-]c(c(C)c1C)c(-c1ccc3c(c1)C(C)(C)c1cc(-c4c5nc(cc6[n-]c(c(C)c6C)c(I)c6nc(c(-c7ccccc7C(F)(F)F)c7[n-]c4c(C)c7C)C(C)=C6C)C(C)=C5C)ccc1-3)c1nc(c(-c3ccccc3C(F)(F)F)c3[n-]c(c(C)c3C)c2I)C(C)=C1C.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide?
The InChIKey is GNZQAELISNLEMW-XFFSVXFQSA-N. The full InChI is InChI=1S/C85H70F6I2N8.2Zn/c1-35-39(5)71-65(73-43(9)45(11)75(98-73)67(55-23-19-21-25-57(55)84(86,87)88)77-47(13)49(15)81(100-77)69(92)79-41(7)37(3)63(96-79)33-61(35)94-71)51-27-29-53-54-30-28-52(32-60(54)83(17,18)59(53)31-51)66-72-40(6)36(2)62(95-72)34-64-38(4)42(8)80(97-64)70(93)82-50(16)48(14)78(101-82)68(76-46(12)44(10)74(66)99-76)56-24-20-22-26-58(56)85(89,90)91;;/h19-34H,1-18H3;;/q-4;2*+2/b61-33-,62-34-,63-33-,64-34-,71-65-,72-66-,73-65-,74-66-,75-67-,76-68-,77-67-,78-68-,79-69+,80-70+,81-69+,82-70+;;.
What are the key properties of dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide?
dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide has a molecular weight of 1702.13 g/mol, XLogP of 23.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;5-iodo-15-[7-[15-iodo-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diid-5-yl]-9,9-dimethylfluoren-2-yl]-2,3,7,8,12,13,17,18-octamethyl-10-[2-(trifluoromethyl)phenyl]porphyrin-21,23-diide is sourced from PubChem (CID 59227212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).