10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin

C33H21F3N4 — CID 11497978

IUPAC10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
SMILESFC(F)(F)c1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C33H21F3N4/c34-33(35,36)32-28-17-15-26(39-28)30(20-7-3-1-4-8-20)24-13-11-22(37-24)19-23-12-14-25(38-23)31(21-9-5-2-6-10-21)27-16-18-29(32)40-27/h1-19,37-38H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeySNILGTBPTCRGKJ-BRZPQLSBSA-N
MW530.55 g/mol
LogP9.01
Rot. Bonds2

About 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin

10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin (PubChem CID 11497978) has the molecular formula C33H21F3N4 and a molecular weight of 530.55 g/mol. Its IUPAC name is 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
PubChem CID11497978
Molecular FormulaC33H21F3N4
Molecular Weight530.55 g/mol
Exact Mass530.17
IUPAC Name10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
SMILESFC(F)(F)c1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C33H21F3N4/c34-33(35,36)32-28-17-15-26(39-28)30(20-7-3-1-4-8-20)24-13-11-22(37-24)19-23-12-14-25(38-23)31(21-9-5-2-6-10-21)27-16-18-29(32)40-27/h1-19,37-38H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeySNILGTBPTCRGKJ-BRZPQLSBSA-N
XLogP9.01
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.55
LogP ≤ 59.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin
CID 70656299
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
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
CID 10769334
15-(2-chloro-1,1,2,2-tetrafluoroethyl)-10,20-diphenyl-3-(2-phenylethynyl)-21,22-dihydroporphyrin
CID 11556794
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide
CID 11319668

Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin?
The IUPAC name of 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin (CID 11497978) is 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin?
The canonical SMILES for 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin is FC(F)(F)c1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2.
What is the InChIKey of 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin?
The InChIKey is SNILGTBPTCRGKJ-BRZPQLSBSA-N. The full InChI is InChI=1S/C33H21F3N4/c34-33(35,36)32-28-17-15-26(39-28)30(20-7-3-1-4-8-20)24-13-11-22(37-24)19-23-12-14-25(38-23)31(21-9-5-2-6-10-21)27-16-18-29(32)40-27/h1-19,37-38H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+.
What are the key properties of 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin?
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin has a molecular weight of 530.55 g/mol, XLogP of 9.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 11497978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).