4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione

C54H35N5O2 — CID 136819322

IUPAC4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione
SMILESNc1c(C2=CC(=O)C(=O)c3ccccc32)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C54H35N5O2/c55-51-50(38-31-45(60)54(61)37-24-14-13-23-36(37)38)52-48(34-19-9-3-10-20-34)43-29-27-41(57-43)46(32-15-5-1-6-16-32)39-25-26-40(56-39)47(33-17-7-2-8-18-33)42-28-30-44(58-42)49(53(51)59-52)35-21-11-4-12-22-35/h1-31,56,59H,55H2/b46-39-,46-41-,47-40-,47-42-,48-43-,49-44-,52-48-,53-49-
InChIKeyJMXCFTIXWNPNLR-YBIBVMECSA-N
MW785.91 g/mol
LogP12.10
Rot. Bonds5

About 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione

4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione (PubChem CID 136819322) has the molecular formula C54H35N5O2 and a molecular weight of 785.91 g/mol. Its IUPAC name is 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione.

Molecular Properties

Compound Name4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione
PubChem CID136819322
Molecular FormulaC54H35N5O2
Molecular Weight785.91 g/mol
Exact Mass785.28
IUPAC Name4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione
SMILESNc1c(C2=CC(=O)C(=O)c3ccccc32)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C54H35N5O2/c55-51-50(38-31-45(60)54(61)37-24-14-13-23-36(37)38)52-48(34-19-9-3-10-20-34)43-29-27-41(57-43)46(32-15-5-1-6-16-32)39-25-26-40(56-39)47(33-17-7-2-8-18-33)42-28-30-44(58-42)49(53(51)59-52)35-21-11-4-12-22-35/h1-31,56,59H,55H2/b46-39-,46-41-,47-40-,47-42-,48-43-,49-44-,52-48-,53-49-
InChIKeyJMXCFTIXWNPNLR-YBIBVMECSA-N
XLogP12.10
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.91
LogP ≤ 512.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14,19,24-triphenyl-12,28,29,30-tetrazaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10,13(31),14,16,18(30),19,21,23,25(28),26-tetradecaen-9-one
CID 136677028
3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione
CID 10651777
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
4-[10,15-diphenyl-20-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 135431079
9-oxo-14,19,24-triphenyl-12,28,29,30-tetrazaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene-31-carbonitrile
CID 135445286
2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453726
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
CID 175208777
CID 175208777
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione?
The IUPAC name of 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione (CID 136819322) is 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione.
What is the SMILES notation for 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione?
The canonical SMILES for 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione is Nc1c(C2=CC(=O)C(=O)c3ccccc32)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione?
The InChIKey is JMXCFTIXWNPNLR-YBIBVMECSA-N. The full InChI is InChI=1S/C54H35N5O2/c55-51-50(38-31-45(60)54(61)37-24-14-13-23-36(37)38)52-48(34-19-9-3-10-20-34)43-29-27-41(57-43)46(32-15-5-1-6-16-32)39-25-26-40(56-39)47(33-17-7-2-8-18-33)42-28-30-44(58-42)49(53(51)59-52)35-21-11-4-12-22-35/h1-31,56,59H,55H2/b46-39-,46-41-,47-40-,47-42-,48-43-,49-44-,52-48-,53-49-.
What are the key properties of 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione?
4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione has a molecular weight of 785.91 g/mol, XLogP of 12.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)naphthalene-1,2-dione is sourced from PubChem (CID 136819322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).