5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin

C44H34N4 — CID 75210756

IUPAC5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin
SMILESC1=CC2NC1=C(c1ccccc1)c1ccc([nH]1)C(c1ccccc1)=C1C=CC(N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1
InChIInChI=1S/C44H34N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,38,45-48H
InChIKeyBEBXMOKZXSNYSO-UHFFFAOYSA-N
MW618.78 g/mol
LogP7.03
Rot. Bonds4

About 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin

5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin (PubChem CID 75210756) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin
PubChem CID75210756
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin
SMILESC1=CC2NC1=C(c1ccccc1)c1ccc([nH]1)C(c1ccccc1)=C1C=CC(N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1
InChIInChI=1S/C44H34N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,38,45-48H
InChIKeyBEBXMOKZXSNYSO-UHFFFAOYSA-N
XLogP7.03
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 57.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1Z,5Z,9Z,14Z)-10,15,20-tris(4-hydroxyphenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenol
CID 3001854
4-[10,15,20-tris(4-carboxyphenyl)-4,21,22,24-tetrahydroporphyrin-5-yl]benzoic acid
CID 162272184
(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin
CID 52914137
zinc 2-[(1Z,5Z,9Z,14Z)-10,15-bis(2-hydroxyphenyl)-20-(2-oxidophenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenolate
CID 3001849
2-pyridin-2-ylpyridine;ruthenium(2+);(4Z,10Z,15Z,19Z)-5,15,20-triphenyl-10-[4-[3-[4-(6,7,8,9-tetrahydro-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]propoxy]phenyl]-1,14,21,22,23,24-hexahydroporphyrin
CID 52914136
(4Z,10Z,15Z,19Z)-5,15,20-tris(5-bromo-3-pyridinyl)-10-pyren-1-yl-1,14,21,22,23,24-hexahydroporphyrin
CID 87530513
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
N-methyl-4-[(E)-2-[(1Z,4Z,9Z,15Z)-5,10,15,20-tetraphenyl-19,21,23,24-tetrahydroporphyrin-2-yl]ethenyl]benzamide
CID 136642661
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11,13,15,17,19-decaene
CID 91265450
5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin
CID 91500775
(1Z,5Z,9Z,14Z)-20-cyclohexa-1,3-dien-1-yl-5,10,15-triphenyl-4,21,22,24-tetrahydroporphyrin-2-ol
CID 154526848

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin (CID 75210756) is 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin is C1=CC2NC1=C(c1ccccc1)c1ccc([nH]1)C(c1ccccc1)=C1C=CC(N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1.
What is the InChIKey of 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin?
The InChIKey is BEBXMOKZXSNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,38,45-48H.
What are the key properties of 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin?
5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin has a molecular weight of 618.78 g/mol, XLogP of 7.03, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin is sourced from PubChem (CID 75210756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).