[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine

C48H42N8 — CID 135409013

IUPAC[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine
SMILESNCc1ccccc1-c1c2nc(c(-c3ccccc3CN)c3ccc([nH]3)c(-c3ccccc3CN)c3nc(c(-c4ccccc4CN)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C48H42N8/c49-25-29-9-1-5-13-33(29)45-37-17-19-39(53-37)46(34-14-6-2-10-30(34)26-50)41-21-23-43(55-41)48(36-16-8-4-12-32(36)28-52)44-24-22-42(56-44)47(40-20-18-38(45)54-40)35-15-7-3-11-31(35)27-51/h1-24,53,56H,25-28,49-52H2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKeyPVCWQURBGYAGRF-PJEPRTEXSA-N
MW730.92 g/mol
LogP9.16
Rot. Bonds8

About [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine

[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine (PubChem CID 135409013) has the molecular formula C48H42N8 and a molecular weight of 730.92 g/mol. Its IUPAC name is [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine
PubChem CID135409013
Molecular FormulaC48H42N8
Molecular Weight730.92 g/mol
Exact Mass730.35
IUPAC Name[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine
SMILESNCc1ccccc1-c1c2nc(c(-c3ccccc3CN)c3ccc([nH]3)c(-c3ccccc3CN)c3nc(c(-c4ccccc4CN)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C48H42N8/c49-25-29-9-1-5-13-33(29)45-37-17-19-39(53-37)46(34-14-6-2-10-30(34)26-50)41-21-23-43(55-41)48(36-16-8-4-12-32(36)28-52)44-24-22-42(56-44)47(40-20-18-38(45)54-40)35-15-7-3-11-31(35)27-51/h1-24,53,56H,25-28,49-52H2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKeyPVCWQURBGYAGRF-PJEPRTEXSA-N
XLogP9.16
TPSA161.44 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 59.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine with MolForge

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Related Compounds

CID 162310326
CID 162310326
dimethyl-[2-[10,15,20-tris(2-dimethylsulfoniophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]sulfanium
CID 136749684
5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin
CID 136954903
iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
CID 175061750
2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453726
titanium;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 157132426
nickel;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 158282965
5,10,15,20-tetrakis(2-fluoro-3-pyridinyl)-21,23-dihydroporphyrin
CID 135882310
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135490543
2-[2-[10,15,20-tris[1-(2-aminoethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]ethanamine
CID 140774636
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803

Frequently Asked Questions

What is the IUPAC name of [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine?
The IUPAC name of [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine (CID 135409013) is [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine.
What is the SMILES notation for [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine?
The canonical SMILES for [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine is NCc1ccccc1-c1c2nc(c(-c3ccccc3CN)c3ccc([nH]3)c(-c3ccccc3CN)c3nc(c(-c4ccccc4CN)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine?
The InChIKey is PVCWQURBGYAGRF-PJEPRTEXSA-N. The full InChI is InChI=1S/C48H42N8/c49-25-29-9-1-5-13-33(29)45-37-17-19-39(53-37)46(34-14-6-2-10-30(34)26-50)41-21-23-43(55-41)48(36-16-8-4-12-32(36)28-52)44-24-22-42(56-44)47(40-20-18-38(45)54-40)35-15-7-3-11-31(35)27-51/h1-24,53,56H,25-28,49-52H2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-.
What are the key properties of [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine?
[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine has a molecular weight of 730.92 g/mol, XLogP of 9.16, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine is sourced from PubChem (CID 135409013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).