5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine

C46H36N6 — CID 135909432

IUPAC5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine
SMILESCc1ccc(Nc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(Nc4ccc(C)cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H36N6/c1-29-13-17-33(18-14-29)47-45-39-25-21-35(49-39)43(31-9-5-3-6-10-31)37-23-27-41(51-37)46(48-34-19-15-30(2)16-20-34)42-28-24-38(52-42)44(32-11-7-4-8-12-32)36-22-26-40(45)50-36/h3-28,47-49,52H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39+,45-40+,46-41+,46-42+
InChIKeyGAFVXRUSSPKEOM-UDSHDLGUSA-N
MW672.84 g/mol
LogP12.09
Rot. Bonds6

About 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine

5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine (PubChem CID 135909432) has the molecular formula C46H36N6 and a molecular weight of 672.84 g/mol. Its IUPAC name is 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine.

Molecular Properties

Compound Name5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine
PubChem CID135909432
Molecular FormulaC46H36N6
Molecular Weight672.84 g/mol
Exact Mass672.30
IUPAC Name5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine
SMILESCc1ccc(Nc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(Nc4ccc(C)cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H36N6/c1-29-13-17-33(18-14-29)47-45-39-25-21-35(49-39)43(31-9-5-3-6-10-31)37-23-27-41(51-37)46(48-34-19-15-30(2)16-20-34)42-28-24-38(52-42)44(32-11-7-4-8-12-32)36-22-26-40(45)50-36/h3-28,47-49,52H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39+,45-40+,46-41+,46-42+
InChIKeyGAFVXRUSSPKEOM-UDSHDLGUSA-N
XLogP12.09
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.84
LogP ≤ 512.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
CID 135909496
N-(4-nitrophenyl)-7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1,3,5,7,9,11,13(16),14-octaen-2-amine
CID 136683340
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
24-(methylamino)-7,12,17-tris(4-methylphenyl)-2-phenyl-4-oxa-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-5-one
CID 135926381
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
10,15,20-tris(4-methylphenyl)-5-[3-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin
CID 10350158
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239

Frequently Asked Questions

What is the IUPAC name of 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine?
The IUPAC name of 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine (CID 135909432) is 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine.
What is the SMILES notation for 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine?
The canonical SMILES for 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine is Cc1ccc(Nc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(Nc4ccc(C)cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine?
The InChIKey is GAFVXRUSSPKEOM-UDSHDLGUSA-N. The full InChI is InChI=1S/C46H36N6/c1-29-13-17-33(18-14-29)47-45-39-25-21-35(49-39)43(31-9-5-3-6-10-31)37-23-27-41(51-37)46(48-34-19-15-30(2)16-20-34)42-28-24-38(52-42)44(32-11-7-4-8-12-32)36-22-26-40(45)50-36/h3-28,47-49,52H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39+,45-40+,46-41+,46-42+.
What are the key properties of 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine?
5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine has a molecular weight of 672.84 g/mol, XLogP of 12.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine is sourced from PubChem (CID 135909432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).