4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine

C44H32N6 — CID 176998905

IUPAC4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine
SMILESNc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c(N)c1
InChIInChI=1S/C44H32N6/c45-30-16-17-31(32(46)26-30)44-39-24-22-37(49-39)42(28-12-6-2-7-13-28)35-20-18-33(47-35)41(27-10-4-1-5-11-27)34-19-21-36(48-34)43(29-14-8-3-9-15-29)38-23-25-40(44)50-38/h1-26,47,50H,45-46H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyHGCVHGRLRQMCJB-LWQDQPMZSA-N
MW644.78 g/mol
LogP10.49
Rot. Bonds4

About 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine

4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine (PubChem CID 176998905) has the molecular formula C44H32N6 and a molecular weight of 644.78 g/mol. Its IUPAC name is 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine
PubChem CID176998905
Molecular FormulaC44H32N6
Molecular Weight644.78 g/mol
Exact Mass644.27
IUPAC Name4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine
SMILESNc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c(N)c1
InChIInChI=1S/C44H32N6/c45-30-16-17-31(32(46)26-30)44-39-24-22-37(49-39)42(28-12-6-2-7-13-28)35-20-18-33(47-35)41(27-10-4-1-5-11-27)34-19-21-36(48-34)43(29-14-8-3-9-15-29)38-23-25-40(44)50-38/h1-26,47,50H,45-46H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyHGCVHGRLRQMCJB-LWQDQPMZSA-N
XLogP10.49
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 510.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
CID 162310326
CID 162310326
2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline
CID 141332732
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
nickel;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 174749730
copper;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 170158211
2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453726
3-[[15-(3-aminophenoxy)-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]oxy]aniline
CID 135540951
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180

Frequently Asked Questions

What is the IUPAC name of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine?
The IUPAC name of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine (CID 176998905) is 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine?
The canonical SMILES for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine is Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c(N)c1.
What is the InChIKey of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine?
The InChIKey is HGCVHGRLRQMCJB-LWQDQPMZSA-N. The full InChI is InChI=1S/C44H32N6/c45-30-16-17-31(32(46)26-30)44-39-24-22-37(49-39)42(28-12-6-2-7-13-28)35-20-18-33(47-35)41(27-10-4-1-5-11-27)34-19-21-36(48-34)43(29-14-8-3-9-15-29)38-23-25-40(44)50-38/h1-26,47,50H,45-46H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine?
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine has a molecular weight of 644.78 g/mol, XLogP of 10.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 176998905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).