methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate

C34H25N5O2 — CID 11364625

IUPACmethyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate
SMILESCOC(=O)Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C34H25N5O2/c1-41-34(40)39-33-29-18-16-27(37-29)31(21-8-4-2-5-9-21)25-14-12-23(35-25)20-24-13-15-26(36-24)32(22-10-6-3-7-11-22)28-17-19-30(33)38-28/h2-20,35-36H,1H3,(H,39,40)/b23-20-,24-20-,31-25-,31-27-,32-26-,32-28-,33-29+,33-30+
InChIKeyPAXZWLATPPTNMY-HPDWPLKISA-N
MW535.61 g/mol
LogP8.17
Rot. Bonds3

About methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate

methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate (PubChem CID 11364625) has the molecular formula C34H25N5O2 and a molecular weight of 535.61 g/mol. Its IUPAC name is methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate
PubChem CID11364625
Molecular FormulaC34H25N5O2
Molecular Weight535.61 g/mol
Exact Mass535.20
IUPAC Namemethyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate
SMILESCOC(=O)Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C34H25N5O2/c1-41-34(40)39-33-29-18-16-27(37-29)31(21-8-4-2-5-9-21)25-14-12-23(35-25)20-24-13-15-26(36-24)32(22-10-6-3-7-11-22)28-17-19-30(33)38-28/h2-20,35-36H,1H3,(H,39,40)/b23-20-,24-20-,31-25-,31-27-,32-26-,32-28-,33-29+,33-30+
InChIKeyPAXZWLATPPTNMY-HPDWPLKISA-N
XLogP8.17
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 58.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide
CID 11319668
N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide
CID 11467287
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
CID 10769334
methyl 4-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzoate
CID 171991341
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
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
dimethyl 2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19,21,23-tridecaene-21,22-dicarboxylate
CID 135443521
ethyl N-[(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)imino]carbamate
CID 136901198
N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 136642660

Frequently Asked Questions

What is the IUPAC name of methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate?
The IUPAC name of methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate (CID 11364625) is methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate.
What is the SMILES notation for methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate?
The canonical SMILES for methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate is COC(=O)Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2.
What is the InChIKey of methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate?
The InChIKey is PAXZWLATPPTNMY-HPDWPLKISA-N. The full InChI is InChI=1S/C34H25N5O2/c1-41-34(40)39-33-29-18-16-27(37-29)31(21-8-4-2-5-9-21)25-14-12-23(35-25)20-24-13-15-26(36-24)32(22-10-6-3-7-11-22)28-17-19-30(33)38-28/h2-20,35-36H,1H3,(H,39,40)/b23-20-,24-20-,31-25-,31-27-,32-26-,32-28-,33-29+,33-30+.
What are the key properties of methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate?
methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate has a molecular weight of 535.61 g/mol, XLogP of 8.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)carbamate is sourced from PubChem (CID 11364625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).