2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline

C32H23N5 — CID 141332732

IUPAC2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline
SMILESNc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C32H23N5/c33-26-9-5-4-8-25(26)32-29-15-13-24(36-29)19-22-11-10-21(34-22)18-23-12-14-27(35-23)31(20-6-2-1-3-7-20)28-16-17-30(32)37-28/h1-19,35-36H,33H2/b21-18-,22-19-,23-18-,24-19-,31-27-,31-28-,32-29-,32-30-
InChIKeyLFXCBKJLHWQADT-UKZZUVFUSA-N
MW477.57 g/mol
LogP7.57
Rot. Bonds2

About 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline

2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline (PubChem CID 141332732) has the molecular formula C32H23N5 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline.

Molecular Properties

Compound Name2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline
PubChem CID141332732
Molecular FormulaC32H23N5
Molecular Weight477.57 g/mol
Exact Mass477.20
IUPAC Name2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline
SMILESNc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C32H23N5/c33-26-9-5-4-8-25(26)32-29-15-13-24(36-29)19-22-11-10-21(34-22)18-23-12-14-27(35-23)31(20-6-2-1-3-7-20)28-16-17-30(32)37-28/h1-19,35-36H,33H2/b21-18-,22-19-,23-18-,24-19-,31-27-,31-28-,32-29-,32-30-
InChIKeyLFXCBKJLHWQADT-UKZZUVFUSA-N
XLogP7.57
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
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
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
3-(15,20-diphenyl-21,23-dihydroporphyrin-2-yl)aniline
CID 152611661
CID 162310326
CID 162310326
2-[10-(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 175941388
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine
CID 176998905
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline?
The IUPAC name of 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline (CID 141332732) is 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline.
What is the SMILES notation for 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline?
The canonical SMILES for 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline is Nc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.
What is the InChIKey of 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline?
The InChIKey is LFXCBKJLHWQADT-UKZZUVFUSA-N. The full InChI is InChI=1S/C32H23N5/c33-26-9-5-4-8-25(26)32-29-15-13-24(36-29)19-22-11-10-21(34-22)18-23-12-14-27(35-23)31(20-6-2-1-3-7-20)28-16-17-30(32)37-28/h1-19,35-36H,33H2/b21-18-,22-19-,23-18-,24-19-,31-27-,31-28-,32-29-,32-30-.
What are the key properties of 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline?
2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline has a molecular weight of 477.57 g/mol, XLogP of 7.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline is sourced from PubChem (CID 141332732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).