13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin

C70H38Cl10N8 — CID 158167207

IUPAC13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin
SMILESClc1cccc(Cl)c1-c1c2nc(c(-c3c(Cl)cccc3Cl)c3ccc([nH]3)c(-c3c(Cl)cccc3Cl)c3nc(c(-c4c(Cl)cccc4Cl)c4ccc1[nH]4)C=C3)C=C2.Clc1cccc(Cl)c1C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3
InChIInChI=1S/C44H22Cl8N4.C26H16Cl2N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50;27-23-2-1-3-24(28)26(23)22-13-21-12-19-7-6-17(30-19)10-15-4-5-16(29-15)11-18-8-9-20(31-18)14-25(22)32-21/h1-20,53,56H;1-14,29-30H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,25-14-
InChIKeyBQYVVDTUVYWEHT-AQIXBYLISA-N
MW1345.66 g/mol
LogP23.93
Rot. Bonds5

About 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin

13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin (PubChem CID 158167207) has the molecular formula C70H38Cl10N8 and a molecular weight of 1345.66 g/mol. Its IUPAC name is 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin
PubChem CID158167207
Molecular FormulaC70H38Cl10N8
Molecular Weight1345.66 g/mol
Exact Mass1340.01
IUPAC Name13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin
SMILESClc1cccc(Cl)c1-c1c2nc(c(-c3c(Cl)cccc3Cl)c3ccc([nH]3)c(-c3c(Cl)cccc3Cl)c3nc(c(-c4c(Cl)cccc4Cl)c4ccc1[nH]4)C=C3)C=C2.Clc1cccc(Cl)c1C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3
InChIInChI=1S/C44H22Cl8N4.C26H16Cl2N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50;27-23-2-1-3-24(28)26(23)22-13-21-12-19-7-6-17(30-19)10-15-4-5-16(29-15)11-18-8-9-20(31-18)14-25(22)32-21/h1-20,53,56H;1-14,29-30H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,25-14-
InChIKeyBQYVVDTUVYWEHT-AQIXBYLISA-N
XLogP23.93
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.66
LogP ≤ 523.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 158548276
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7-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)-2,12-diphenyl-21,23-dihydroporphyrin
CID 136693637
manganese;13-phenyl-21,22-dihydroporphyrin
CID 161047080
7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium
CID 175047395
iron;13-(4-methoxyphenyl)-21,22-dihydroporphyrin
CID 162251253
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin
CID 137270214
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
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Frequently Asked Questions

What is the IUPAC name of 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin?
The IUPAC name of 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin (CID 158167207) is 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin is Clc1cccc(Cl)c1-c1c2nc(c(-c3c(Cl)cccc3Cl)c3ccc([nH]3)c(-c3c(Cl)cccc3Cl)c3nc(c(-c4c(Cl)cccc4Cl)c4ccc1[nH]4)C=C3)C=C2.Clc1cccc(Cl)c1C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.
What is the InChIKey of 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin?
The InChIKey is BQYVVDTUVYWEHT-AQIXBYLISA-N. The full InChI is InChI=1S/C44H22Cl8N4.C26H16Cl2N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50;27-23-2-1-3-24(28)26(23)22-13-21-12-19-7-6-17(30-19)10-15-4-5-16(29-15)11-18-8-9-20(31-18)14-25(22)32-21/h1-20,53,56H;1-14,29-30H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,25-14-.
What are the key properties of 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin?
13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin has a molecular weight of 1345.66 g/mol, XLogP of 23.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 158167207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).