4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine

C38H22Cl4N12 — CID 10865650

IUPAC4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(Nc6nc(Cl)nc(Cl)n6)cc5)c5ccc(cc6nc3C=C6)[nH]5)C=C4)cc2)n1
InChIInChI=1S/C38H22Cl4N12/c39-33-49-34(40)52-37(51-33)47-21-5-1-19(2-6-21)31-27-13-9-23(43-27)17-25-11-15-29(45-25)32(30-16-12-26(46-30)18-24-10-14-28(31)44-24)20-3-7-22(8-4-20)48-38-53-35(41)50-36(42)54-38/h1-18,43-44H,(H,47,49,51,52)(H,48,50,53,54)/b23-17-,24-18-,25-17-,26-18-,31-27-,31-28-,32-29-,32-30-
InChIKeyJBZVKSYBMXVJHK-DICHWLPUSA-N
MW788.49 g/mol
LogP10.46
Rot. Bonds6

About 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine (PubChem CID 10865650) has the molecular formula C38H22Cl4N12 and a molecular weight of 788.49 g/mol. Its IUPAC name is 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine
PubChem CID10865650
Molecular FormulaC38H22Cl4N12
Molecular Weight788.49 g/mol
Exact Mass786.08
IUPAC Name4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(Nc6nc(Cl)nc(Cl)n6)cc5)c5ccc(cc6nc3C=C6)[nH]5)C=C4)cc2)n1
InChIInChI=1S/C38H22Cl4N12/c39-33-49-34(40)52-37(51-33)47-21-5-1-19(2-6-21)31-27-13-9-23(43-27)17-25-11-15-29(45-25)32(30-16-12-26(46-30)18-24-10-14-28(31)44-24)20-3-7-22(8-4-20)48-38-53-35(41)50-36(42)54-38/h1-18,43-44H,(H,47,49,51,52)(H,48,50,53,54)/b23-17-,24-18-,25-17-,26-18-,31-27-,31-28-,32-29-,32-30-
InChIKeyJBZVKSYBMXVJHK-DICHWLPUSA-N
XLogP10.46
TPSA158.76 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.49
LogP ≤ 510.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[15-[4-(4-methoxyanilino)phenyl]-21,22-dihydroporphyrin-5-yl]-N-(4-methoxyphenyl)aniline
CID 10908866
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
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
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
15-[4-[2-[4-(23,24-dihydroporphyrin-5-yl)phenyl]ethynyl]phenyl]-21,22-dihydroporphyrin
CID 86093566
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
2-[4-[15-[4-(1,1-dicarboxypropylamino)phenyl]-21,23-dihydroporphyrin-5-yl]anilino]-2-ethylpropanedioic acid
CID 162514521
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
CID 11642161
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
4-(21,23-dihydroporphyrin-5-yl)benzenesulfonic acid
CID 173010377
trimethyl-[2-[4-[15-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135466414
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)phenoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]phenyl]azanium diiodide
CID 11766527

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine (CID 10865650) is 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(Nc6nc(Cl)nc(Cl)n6)cc5)c5ccc(cc6nc3C=C6)[nH]5)C=C4)cc2)n1.
What is the InChIKey of 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine?
The InChIKey is JBZVKSYBMXVJHK-DICHWLPUSA-N. The full InChI is InChI=1S/C38H22Cl4N12/c39-33-49-34(40)52-37(51-33)47-21-5-1-19(2-6-21)31-27-13-9-23(43-27)17-25-11-15-29(45-25)32(30-16-12-26(46-30)18-24-10-14-28(31)44-24)20-3-7-22(8-4-20)48-38-53-35(41)50-36(42)54-38/h1-18,43-44H,(H,47,49,51,52)(H,48,50,53,54)/b23-17-,24-18-,25-17-,26-18-,31-27-,31-28-,32-29-,32-30-.
What are the key properties of 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine has a molecular weight of 788.49 g/mol, XLogP of 10.46, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[4-[15-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 10865650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).