10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde

C33H22N4O — CID 135415239

IUPAC10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
SMILESO=Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C33H22N4O/c38-20-25-26-15-17-30(36-26)32(21-7-3-1-4-8-21)28-13-11-23(34-28)19-24-12-14-29(35-24)33(22-9-5-2-6-10-22)31-18-16-27(25)37-31/h1-20,34,37H/b23-19-,24-19-,26-25-,27-25-,32-28-,32-30-,33-29-,33-31-
InChIKeyGVZCFIYVNGIZBC-HHPYPRDHSA-N
MW490.57 g/mol
LogP7.80
Rot. Bonds3

About 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde

10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde (PubChem CID 135415239) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde.

Molecular Properties

Compound Name10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
PubChem CID135415239
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
SMILESO=Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C33H22N4O/c38-20-25-26-15-17-30(36-26)32(21-7-3-1-4-8-21)28-13-11-23(34-28)19-24-12-14-29(35-24)33(22-9-5-2-6-10-22)31-18-16-27(25)37-31/h1-20,34,37H/b23-19-,24-19-,26-25-,27-25-,32-28-,32-30-,33-29-,33-31-
InChIKeyGVZCFIYVNGIZBC-HHPYPRDHSA-N
XLogP7.80
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
CID 135513055
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 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde?
The IUPAC name of 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde (CID 135415239) is 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde.
What is the SMILES notation for 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde?
The canonical SMILES for 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde is O=Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.
What is the InChIKey of 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde?
The InChIKey is GVZCFIYVNGIZBC-HHPYPRDHSA-N. The full InChI is InChI=1S/C33H22N4O/c38-20-25-26-15-17-30(36-26)32(21-7-3-1-4-8-21)28-13-11-23(34-28)19-24-12-14-29(35-24)33(22-9-5-2-6-10-22)31-18-16-27(25)37-31/h1-20,34,37H/b23-19-,24-19-,26-25-,27-25-,32-28-,32-30-,33-29-,33-31-.
What are the key properties of 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde?
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde has a molecular weight of 490.57 g/mol, XLogP of 7.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde is sourced from PubChem (CID 135415239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).