5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin

C43H31N5 — CID 90745797

IUPAC5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C43H31N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h1-27,45-48H
InChIKeyBXWXIEKFVZYBBC-UHFFFAOYSA-N
MW617.76 g/mol
LogP5.70
Rot. Bonds4

About 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin

5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 90745797) has the molecular formula C43H31N5 and a molecular weight of 617.76 g/mol. Its IUPAC name is 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID90745797
Molecular FormulaC43H31N5
Molecular Weight617.76 g/mol
Exact Mass617.26
IUPAC Name5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C43H31N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h1-27,45-48H
InChIKeyBXWXIEKFVZYBBC-UHFFFAOYSA-N
XLogP5.70
TPSA76.05 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.76
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Related Compounds

3,3'-Diindolylmethane
CID 3071
Serdemetan
CID 11609586
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
BC-1215
CID 72201045
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3-Indolecarboxylaldehyde, azine
CID 135400613
Nornicotyrine
CID 68125
3-(4-Phenyl-piperidin-1-ylmethyl)-1H-indole
CID 10851078
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10451707
4-[5-(1-Ethyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 15550445
2-methyl-3-(pyridin-2-yl(pyrrolidin-1-yl)methyl)-1H-indole
CID 4524982

Frequently Asked Questions

What is the IUPAC name of 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 90745797) is 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin is c1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is BXWXIEKFVZYBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h1-27,45-48H.
What are the key properties of 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 617.76 g/mol, XLogP of 5.70, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-triphenyl-20-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90745797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).