5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin

C44H16Cl4F10N4 — CID 135504004

IUPAC5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(Cl)cccc4Cl)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(Cl)cccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C44H16Cl4F10N4/c45-15-3-1-4-16(46)27(15)29-19-7-11-23(59-19)31(33-35(49)39(53)43(57)40(54)36(33)50)25-13-9-21(61-25)30(28-17(47)5-2-6-18(28)48)22-10-14-26(62-22)32(24-12-8-20(29)60-24)34-37(51)41(55)44(58)42(56)38(34)52/h1-14,59,62H/b29-19+,29-20+,30-21+,30-22+,31-23+,31-25+,32-24+,32-26+
InChIKeyYJLPHTFHIWPERB-ZAASIZHMSA-N
MW932.43 g/mol
LogP15.33
Rot. Bonds4

About 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin

5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin (PubChem CID 135504004) has the molecular formula C44H16Cl4F10N4 and a molecular weight of 932.43 g/mol. Its IUPAC name is 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
PubChem CID135504004
Molecular FormulaC44H16Cl4F10N4
Molecular Weight932.43 g/mol
Exact Mass930.00
IUPAC Name5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(Cl)cccc4Cl)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(Cl)cccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C44H16Cl4F10N4/c45-15-3-1-4-16(46)27(15)29-19-7-11-23(59-19)31(33-35(49)39(53)43(57)40(54)36(33)50)25-13-9-21(61-25)30(28-17(47)5-2-6-18(28)48)22-10-14-26(62-22)32(24-12-8-20(29)60-24)34-37(51)41(55)44(58)42(56)38(34)52/h1-14,59,62H/b29-19+,29-20+,30-21+,30-22+,31-23+,31-25+,32-24+,32-26+
InChIKeyYJLPHTFHIWPERB-ZAASIZHMSA-N
XLogP15.33
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.43
LogP ≤ 515.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin (CID 135504004) is 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin is Fc1c(F)c(F)c(-c2c3nc(c(-c4c(Cl)cccc4Cl)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(Cl)cccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F.
What is the InChIKey of 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?
The InChIKey is YJLPHTFHIWPERB-ZAASIZHMSA-N. The full InChI is InChI=1S/C44H16Cl4F10N4/c45-15-3-1-4-16(46)27(15)29-19-7-11-23(59-19)31(33-35(49)39(53)43(57)40(54)36(33)50)25-13-9-21(61-25)30(28-17(47)5-2-6-18(28)48)22-10-14-26(62-22)32(24-12-8-20(29)60-24)34-37(51)41(55)44(58)42(56)38(34)52/h1-14,59,62H/b29-19+,29-20+,30-21+,30-22+,31-23+,31-25+,32-24+,32-26+.
What are the key properties of 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?
5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin has a molecular weight of 932.43 g/mol, XLogP of 15.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2,6-dichlorophenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135504004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).