4,20-diphenyl-21,23-dihydro-1H-porphyrin

C32H24N4 — CID 91068055

IUPAC4,20-diphenyl-21,23-dihydro-1H-porphyrin
SMILESC1=CC2=NC1=CC1(c3ccccc3)C=CC(N1)C(c1ccccc1)=C1C=CC(=N1)C=c1ccc([nH]1)=C2
InChIInChI=1S/C32H24N4/c1-3-7-22(8-4-1)31-29-16-15-27(35-29)20-25-12-11-24(33-25)19-26-13-14-28(34-26)21-32(18-17-30(31)36-32)23-9-5-2-6-10-23/h1-21,30,33,36H
InChIKeyKYJLDNQBPAVGQD-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.33
Rot. Bonds2

About 4,20-diphenyl-21,23-dihydro-1H-porphyrin

4,20-diphenyl-21,23-dihydro-1H-porphyrin (PubChem CID 91068055) has the molecular formula C32H24N4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4,20-diphenyl-21,23-dihydro-1H-porphyrin.

Molecular Properties

Compound Name4,20-diphenyl-21,23-dihydro-1H-porphyrin
PubChem CID91068055
Molecular FormulaC32H24N4
Molecular Weight464.57 g/mol
Exact Mass464.20
IUPAC Name4,20-diphenyl-21,23-dihydro-1H-porphyrin
SMILESC1=CC2=NC1=CC1(c3ccccc3)C=CC(N1)C(c1ccccc1)=C1C=CC(=N1)C=c1ccc([nH]1)=C2
InChIInChI=1S/C32H24N4/c1-3-7-22(8-4-1)31-29-16-15-27(35-29)20-25-12-11-24(33-25)19-26-13-14-28(34-26)21-32(18-17-30(31)36-32)23-9-5-2-6-10-23/h1-21,30,33,36H
InChIKeyKYJLDNQBPAVGQD-UHFFFAOYSA-N
XLogP4.33
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z,9Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,4,21,22-tetrahydroporphyrin
CID 136135835
1-Benzylamino-7-benzylimino-1,3,5-cycloheptatriene
CID 1895489
(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
CID 118729008
N-[(1R)-1-phenylethyl]-7-[(1R)-1-phenylethyl]iminocyclohepta-1,3,5-trien-1-amine
CID 11759432
(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
CID 59167867
Dihydrotetrabenzporphin
CID 87483055
(4-Phenyl)porphyrin
CID 129827519
1,2,3,4,5,6,7,8-octaethyl-9,11-bis[4-(trifluoromethyl)phenyl]-10,21,22,24-tetrahydro-5H-porphyrin
CID 152744726
N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine
CID 19917507
7-[(1S,2S)-1,2-diphenyl-2-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]ethyl]imino-N-propan-2-ylcyclohepta-1,3,5-trien-1-amine
CID 16079142
Tetra-phenyltetrahydroporphin
CID 77520081
Tetrahydrobenzoporphyrin
CID 88457769

Frequently Asked Questions

What is the IUPAC name of 4,20-diphenyl-21,23-dihydro-1H-porphyrin?
The IUPAC name of 4,20-diphenyl-21,23-dihydro-1H-porphyrin (CID 91068055) is 4,20-diphenyl-21,23-dihydro-1H-porphyrin.
What is the SMILES notation for 4,20-diphenyl-21,23-dihydro-1H-porphyrin?
The canonical SMILES for 4,20-diphenyl-21,23-dihydro-1H-porphyrin is C1=CC2=NC1=CC1(c3ccccc3)C=CC(N1)C(c1ccccc1)=C1C=CC(=N1)C=c1ccc([nH]1)=C2.
What is the InChIKey of 4,20-diphenyl-21,23-dihydro-1H-porphyrin?
The InChIKey is KYJLDNQBPAVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4/c1-3-7-22(8-4-1)31-29-16-15-27(35-29)20-25-12-11-24(33-25)19-26-13-14-28(34-26)21-32(18-17-30(31)36-32)23-9-5-2-6-10-23/h1-21,30,33,36H.
What are the key properties of 4,20-diphenyl-21,23-dihydro-1H-porphyrin?
4,20-diphenyl-21,23-dihydro-1H-porphyrin has a molecular weight of 464.57 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,20-diphenyl-21,23-dihydro-1H-porphyrin is sourced from PubChem (CID 91068055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).