10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine

C46H30F6N6O2 — CID 135909459

IUPAC10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine
SMILESFC(F)(F)Oc1ccccc1Nc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(Nc3ccccc3OC(F)(F)F)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C46H30F6N6O2/c47-45(48,49)59-39-17-9-7-15-29(39)57-43-35-23-19-31(53-35)41(27-11-3-1-4-12-27)32-20-24-36(54-32)44(58-30-16-8-10-18-40(30)60-46(50,51)52)38-26-22-34(56-38)42(28-13-5-2-6-14-28)33-21-25-37(43)55-33/h1-26,53,56-58H/b41-31-,41-32-,42-33-,42-34-,43-35+,43-37+,44-36+,44-38+
InChIKeyGPQJUQDYPYLQTM-CAEQTRJMSA-N
MW812.77 g/mol
LogP13.27
Rot. Bonds8

About 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine

10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine (PubChem CID 135909459) has the molecular formula C46H30F6N6O2 and a molecular weight of 812.77 g/mol. Its IUPAC name is 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine.

Molecular Properties

Compound Name10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine
PubChem CID135909459
Molecular FormulaC46H30F6N6O2
Molecular Weight812.77 g/mol
Exact Mass812.23
IUPAC Name10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine
SMILESFC(F)(F)Oc1ccccc1Nc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(Nc3ccccc3OC(F)(F)F)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C46H30F6N6O2/c47-45(48,49)59-39-17-9-7-15-29(39)57-43-35-23-19-31(53-35)41(27-11-3-1-4-12-27)32-20-24-36(54-32)44(58-30-16-8-10-18-40(30)60-46(50,51)52)38-26-22-34(56-38)42(28-13-5-2-6-14-28)33-21-25-37(43)55-33/h1-26,53,56-58H/b41-31-,41-32-,42-33-,42-34-,43-35+,43-37+,44-36+,44-38+
InChIKeyGPQJUQDYPYLQTM-CAEQTRJMSA-N
XLogP13.27
TPSA99.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.77
LogP ≤ 513.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
CID 135909496
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
N-(4-nitrophenyl)-7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1,3,5,7,9,11,13(16),14-octaen-2-amine
CID 136683340
[2-[10,15-bis[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-20-phenyl-21,22-dihydroporphyrin-5-yl]-3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
CID 136898631
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
CID 175208777
CID 175208777
zinc;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 173229140
20,21,22,23-tetrafluoro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19(24),20,22-tridecaene
CID 135401516
2,13,24-tris(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,29,30-hexakis-phenyl-34,35,36,37,38,39-hexazaheptacyclo[29.2.1.13,6.19,12.114,17.120,23.125,28]nonatriaconta-1(34),2,4,6,8,10,12(38),13,15,17,19,21,23(36),24,26,28,30,32-octadecaene
CID 177390418

Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine?
The IUPAC name of 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine (CID 135909459) is 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine.
What is the SMILES notation for 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine?
The canonical SMILES for 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine is FC(F)(F)Oc1ccccc1Nc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(Nc3ccccc3OC(F)(F)F)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine?
The InChIKey is GPQJUQDYPYLQTM-CAEQTRJMSA-N. The full InChI is InChI=1S/C46H30F6N6O2/c47-45(48,49)59-39-17-9-7-15-29(39)57-43-35-23-19-31(53-35)41(27-11-3-1-4-12-27)32-20-24-36(54-32)44(58-30-16-8-10-18-40(30)60-46(50,51)52)38-26-22-34(56-38)42(28-13-5-2-6-14-28)33-21-25-37(43)55-33/h1-26,53,56-58H/b41-31-,41-32-,42-33-,42-34-,43-35+,43-37+,44-36+,44-38+.
What are the key properties of 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine?
10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine has a molecular weight of 812.77 g/mol, XLogP of 13.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine is sourced from PubChem (CID 135909459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).