zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

C64H40N5O2PZn — CID 25185423

IUPACzinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3cccc(Np4oc5ccc6ccccc6c5c5c(ccc6ccccc65)o4)c3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2]
InChIInChI=1S/C64H40N5O2P.Zn/c1-4-17-42(18-5-1)59-49-29-31-51(65-49)60(43-19-6-2-7-20-43)53-33-35-55(67-53)62(56-36-34-54(68-56)61(44-21-8-3-9-22-44)52-32-30-50(59)66-52)45-23-14-24-46(39-45)69-72-70-57-37-27-40-15-10-12-25-47(40)63(57)64-48-26-13-11-16-41(48)28-38-58(64)71-72;/h1-39,69H;/q-2;+2/b59-49-,59-50-,60-51-,60-53-,61-52-,61-54-,62-55-,62-56-;
InChIKeyHZCZQLWUWQTJDX-YRKPOUOMSA-N
MW1007.42 g/mol
LogP17.36
Rot. Bonds6

About zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (PubChem CID 25185423) has the molecular formula C64H40N5O2PZn and a molecular weight of 1007.42 g/mol. Its IUPAC name is zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.

Molecular Properties

Compound Namezinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
PubChem CID25185423
Molecular FormulaC64H40N5O2PZn
Molecular Weight1007.42 g/mol
Exact Mass1005.22
IUPAC Namezinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3cccc(Np4oc5ccc6ccccc6c5c5c(ccc6ccccc65)o4)c3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2]
InChIInChI=1S/C64H40N5O2P.Zn/c1-4-17-42(18-5-1)59-49-29-31-51(65-49)60(43-19-6-2-7-20-43)53-33-35-55(67-53)62(56-36-34-54(68-56)61(44-21-8-3-9-22-44)52-32-30-50(59)66-52)45-23-14-24-46(39-45)69-72-70-57-37-27-40-15-10-12-25-47(40)63(57)64-48-26-13-11-16-41(48)28-38-58(64)71-72;/h1-39,69H;/q-2;+2/b59-49-,59-50-,60-51-,60-53-,61-52-,61-54-,62-55-,62-56-;
InChIKeyHZCZQLWUWQTJDX-YRKPOUOMSA-N
XLogP17.36
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.42
LogP ≤ 517.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine with MolForge

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Related Compounds

zinc 5-[3-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]phenyl]-10,15,20-triphenylporphyrin-22,24-diide
CID 25185713
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
chlororuthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 169046484
dicopper;6,11,16,25,30,35-hexakis-phenyl-40,41,44,45-tetraza-39,42,43,46-tetrazanidanonacyclo[34.2.1.12,5.17,10.112,15.117,20.121,24.126,29.131,34]hexatetraconta-1,3,5,7(45),8,10,12(44),13,15,17,19,21,23,25,27,29(41),30,32,34(40),35,37-henicosaene
CID 140772135
ethanol;bis(ruthenium(2+));bis(5,10,15,20-tetraphenylporphyrin-22,24-diide);hydrate
CID 11982081
N-(4-methoxyphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 11690675
cobalt(3+);prop-1-en-2-olate;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 50921065
zinc 4-pyren-1-yl-N-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]butanamide
CID 139253228
nickel(3+);bis(pyridine);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 165365898
nickel(3+);oxolane;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 165365900
zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenanthrene-9,10-dione
CID 11083327

Frequently Asked Questions

What is the IUPAC name of zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The IUPAC name of zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (CID 25185423) is zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.
What is the SMILES notation for zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The canonical SMILES for zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3cccc(Np4oc5ccc6ccccc6c5c5c(ccc6ccccc65)o4)c3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Zn+2].
What is the InChIKey of zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The InChIKey is HZCZQLWUWQTJDX-YRKPOUOMSA-N. The full InChI is InChI=1S/C64H40N5O2P.Zn/c1-4-17-42(18-5-1)59-49-29-31-51(65-49)60(43-19-6-2-7-20-43)53-33-35-55(67-53)62(56-36-34-54(68-56)61(44-21-8-3-9-22-44)52-32-30-50(59)66-52)45-23-14-24-46(39-45)69-72-70-57-37-27-40-15-10-12-25-47(40)63(57)64-48-26-13-11-16-41(48)28-38-58(64)71-72;/h1-39,69H;/q-2;+2/b59-49-,59-50-,60-51-,60-53-,61-52-,61-54-,62-55-,62-56-;.
What are the key properties of zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine has a molecular weight of 1007.42 g/mol, XLogP of 17.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc N-[3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is sourced from PubChem (CID 25185423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).