5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine

C48H34N6 — CID 136716524

IUPAC5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine
SMILESNc1c(-n2cccc2)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C48H34N6/c49-45-46-43(33-19-9-3-10-20-33)39-27-25-37(51-39)41(31-15-5-1-6-16-31)35-23-24-36(50-35)42(32-17-7-2-8-18-32)38-26-28-40(52-38)44(34-21-11-4-12-22-34)47(53-46)48(45)54-29-13-14-30-54/h1-30,50,53H,49H2/b41-35-,41-37-,42-36-,42-38-,43-39-,44-40-,46-43-,47-44-
InChIKeyAMQNUVCYJNLUJB-BQMKKPOSSA-N
MW694.84 g/mol
LogP11.70
Rot. Bonds5

About 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine

5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine (PubChem CID 136716524) has the molecular formula C48H34N6 and a molecular weight of 694.84 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine
PubChem CID136716524
Molecular FormulaC48H34N6
Molecular Weight694.84 g/mol
Exact Mass694.28
IUPAC Name5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine
SMILESNc1c(-n2cccc2)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C48H34N6/c49-45-46-43(33-19-9-3-10-20-33)39-27-25-37(51-39)41(31-15-5-1-6-16-31)35-23-24-36(50-35)42(32-17-7-2-8-18-32)38-26-28-40(52-38)44(34-21-11-4-12-22-34)47(53-46)48(45)54-29-13-14-30-54/h1-30,50,53H,49H2/b41-35-,41-37-,42-36-,42-38-,43-39-,44-40-,46-43-,47-44-
InChIKeyAMQNUVCYJNLUJB-BQMKKPOSSA-N
XLogP11.70
TPSA88.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 511.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
5,15-Diphenyl-21H,23H-porphine
CID 10895852
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
N-[[3-[3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]-5-[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 73211825
Ttmapp
CID 135433388
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-21,23H-porphyrin tetrachloride
CID 135509775
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine?
The IUPAC name of 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine (CID 136716524) is 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine.
What is the SMILES notation for 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine?
The canonical SMILES for 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine is Nc1c(-n2cccc2)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine?
The InChIKey is AMQNUVCYJNLUJB-BQMKKPOSSA-N. The full InChI is InChI=1S/C48H34N6/c49-45-46-43(33-19-9-3-10-20-33)39-27-25-37(51-39)41(31-15-5-1-6-16-31)35-23-24-36(50-35)42(32-17-7-2-8-18-32)38-26-28-40(52-38)44(34-21-11-4-12-22-34)47(53-46)48(45)54-29-13-14-30-54/h1-30,50,53H,49H2/b41-35-,41-37-,42-36-,42-38-,43-39-,44-40-,46-43-,47-44-.
What are the key properties of 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine?
5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine has a molecular weight of 694.84 g/mol, XLogP of 11.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-3-pyrrol-1-yl-21,23-dihydroporphyrin-2-amine is sourced from PubChem (CID 136716524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).