5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin

C68H60N8 — CID 91553466

IUPAC5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1cc(C)c(C2=c3ccc([nH]3)=C(c3ccc(C(c4ccc[nH]4)c4ccc[nH]4)cc3)c3ccc([nH]3)C(c3c(C)cc(C)cc3C)=c3ccc([nH]3)=C(c3ccc(C(c4ccc[nH]4)c4ccc[nH]4)cc3)c3ccc2[nH]3)c(C)c1
InChIInChI=1S/C68H60N8/c1-39-35-41(3)61(42(4)36-39)67-57-27-23-53(73-57)65(47-19-15-45(16-20-47)63(49-11-7-31-69-49)50-12-8-32-70-50)55-25-29-59(75-55)68(62-43(5)37-40(2)38-44(62)6)60-30-26-56(76-60)66(54-24-28-58(67)74-54)48-21-17-46(18-22-48)64(51-13-9-33-71-51)52-14-10-34-72-52/h7-38,63-64,69-76H,1-6H3
InChIKeyLJPXGZRQVDDPME-UHFFFAOYSA-N
MW989.28 g/mol
LogP11.82
Rot. Bonds10

About 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin

5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91553466) has the molecular formula C68H60N8 and a molecular weight of 989.28 g/mol. Its IUPAC name is 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91553466
Molecular FormulaC68H60N8
Molecular Weight989.28 g/mol
Exact Mass988.49
IUPAC Name5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1cc(C)c(C2=c3ccc([nH]3)=C(c3ccc(C(c4ccc[nH]4)c4ccc[nH]4)cc3)c3ccc([nH]3)C(c3c(C)cc(C)cc3C)=c3ccc([nH]3)=C(c3ccc(C(c4ccc[nH]4)c4ccc[nH]4)cc3)c3ccc2[nH]3)c(C)c1
InChIInChI=1S/C68H60N8/c1-39-35-41(3)61(42(4)36-39)67-57-27-23-53(73-57)65(47-19-15-45(16-20-47)63(49-11-7-31-69-49)50-12-8-32-70-50)55-25-29-59(75-55)68(62-43(5)37-40(2)38-44(62)6)60-30-26-56(76-60)66(54-24-28-58(67)74-54)48-21-17-46(18-22-48)64(51-13-9-33-71-51)52-14-10-34-72-52/h7-38,63-64,69-76H,1-6H3
InChIKeyLJPXGZRQVDDPME-UHFFFAOYSA-N
XLogP11.82
TPSA126.32 Ų
H-Bond Donors8
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.28
LogP ≤ 511.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 100

Analyze 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 91553466) is 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin is Cc1cc(C)c(C2=c3ccc([nH]3)=C(c3ccc(C(c4ccc[nH]4)c4ccc[nH]4)cc3)c3ccc([nH]3)C(c3c(C)cc(C)cc3C)=c3ccc([nH]3)=C(c3ccc(C(c4ccc[nH]4)c4ccc[nH]4)cc3)c3ccc2[nH]3)c(C)c1.
What is the InChIKey of 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is LJPXGZRQVDDPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H60N8/c1-39-35-41(3)61(42(4)36-39)67-57-27-23-53(73-57)65(47-19-15-45(16-20-47)63(49-11-7-31-69-49)50-12-8-32-70-50)55-25-29-59(75-55)68(62-43(5)37-40(2)38-44(62)6)60-30-26-56(76-60)66(54-24-28-58(67)74-54)48-21-17-46(18-22-48)64(51-13-9-33-71-51)52-14-10-34-72-52/h7-38,63-64,69-76H,1-6H3.
What are the key properties of 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 989.28 g/mol, XLogP of 11.82, 10 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91553466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).