10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin

C34H24N4 — CID 135513055

IUPAC10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
SMILES[2H]C([2H])=Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C34H24N4/c1-2-26-27-17-19-31(37-27)33(22-9-5-3-6-10-22)29-15-13-24(35-29)21-25-14-16-30(36-25)34(23-11-7-4-8-12-23)32-20-18-28(26)38-32/h2-21,35,38H,1H2/b24-21-,25-21-,27-26-,28-26-,33-29-,33-31-,34-30-,34-32-/i1D2
InChIKeyIOTIPGWVKGKZFE-RERPVHHXSA-N
MW490.61 g/mol
LogP8.63
Rot. Bonds3

About 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin

10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin (PubChem CID 135513055) has the molecular formula C34H24N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
PubChem CID135513055
Molecular FormulaC34H24N4
Molecular Weight490.61 g/mol
Exact Mass490.21
IUPAC Name10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
SMILES[2H]C([2H])=Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C34H24N4/c1-2-26-27-17-19-31(37-27)33(22-9-5-3-6-10-22)29-15-13-24(35-29)21-25-14-16-30(36-25)34(23-11-7-4-8-12-23)32-20-18-28(26)38-32/h2-21,35,38H,1H2/b24-21-,25-21-,27-26-,28-26-,33-29-,33-31-,34-30-,34-32-/i1D2
InChIKeyIOTIPGWVKGKZFE-RERPVHHXSA-N
XLogP8.63
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
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
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
CID 10769334
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin?
The IUPAC name of 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin (CID 135513055) is 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin is [2H]C([2H])=Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.
What is the InChIKey of 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin?
The InChIKey is IOTIPGWVKGKZFE-RERPVHHXSA-N. The full InChI is InChI=1S/C34H24N4/c1-2-26-27-17-19-31(37-27)33(22-9-5-3-6-10-22)29-15-13-24(35-29)21-25-14-16-30(36-25)34(23-11-7-4-8-12-23)32-20-18-28(26)38-32/h2-21,35,38H,1H2/b24-21-,25-21-,27-26-,28-26-,33-29-,33-31-,34-30-,34-32-/i1D2.
What are the key properties of 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin?
10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin has a molecular weight of 490.61 g/mol, XLogP of 8.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135513055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).