15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin

C34H23BrN4 — CID 10769334

IUPAC15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
SMILESBr/C=C/c1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C34H23BrN4/c35-20-19-26-27-15-17-31(38-27)33(22-7-3-1-4-8-22)29-13-11-24(36-29)21-25-12-14-30(37-25)34(23-9-5-2-6-10-23)32-18-16-28(26)39-32/h1-21,36-37H/b20-19+,24-21-,25-21-,27-26-,28-26-,33-29-,33-31-,34-30-,34-32-
InChIKeyXRWHTCRFONTDEC-AJZNNHEWSA-N
MW567.49 g/mol
LogP9.36
Rot. Bonds3

About 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin

15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin (PubChem CID 10769334) has the molecular formula C34H23BrN4 and a molecular weight of 567.49 g/mol. Its IUPAC name is 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
PubChem CID10769334
Molecular FormulaC34H23BrN4
Molecular Weight567.49 g/mol
Exact Mass566.11
IUPAC Name15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
SMILESBr/C=C/c1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C34H23BrN4/c35-20-19-26-27-15-17-31(38-27)33(22-7-3-1-4-8-22)29-13-11-24(36-29)21-25-12-14-30(37-25)34(23-9-5-2-6-10-23)32-18-16-28(26)39-32/h1-21,36-37H/b20-19+,24-21-,25-21-,27-26-,28-26-,33-29-,33-31-,34-30-,34-32-
InChIKeyXRWHTCRFONTDEC-AJZNNHEWSA-N
XLogP9.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.49
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin with MolForge

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Related Compounds

15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
5-[(E)-2-iodoethenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136863679
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
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
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
15-chloro-10-fluoro-20-phenyl-21,22-dihydroporphyrin
CID 70656299
10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
CID 135513055
methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate
CID 11364625
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118

Frequently Asked Questions

What is the IUPAC name of 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin?
The IUPAC name of 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin (CID 10769334) is 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin is Br/C=C/c1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2.
What is the InChIKey of 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin?
The InChIKey is XRWHTCRFONTDEC-AJZNNHEWSA-N. The full InChI is InChI=1S/C34H23BrN4/c35-20-19-26-27-15-17-31(38-27)33(22-7-3-1-4-8-22)29-13-11-24(36-29)21-25-12-14-30(37-25)34(23-9-5-2-6-10-23)32-18-16-28(26)39-32/h1-21,36-37H/b20-19+,24-21-,25-21-,27-26-,28-26-,33-29-,33-31-,34-30-,34-32-.
What are the key properties of 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin?
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin has a molecular weight of 567.49 g/mol, XLogP of 9.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 10769334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).