5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin

C52H48N4O2 — CID 91412808

IUPAC5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1ccccc1C1=c2ccc([nH]2)=C(c2c(C)cc(C)cc2C)c2ccc([nH]2)C(c2ccccc2OC)=c2ccc([nH]2)=C(c2c(C)cc(C)cc2C)c2ccc1[nH]2
InChIInChI=1S/C52H48N4O2/c1-29-25-31(3)47(32(4)26-29)51-41-21-17-37(53-41)49(35-13-9-11-15-45(35)57-7)39-19-23-43(55-39)52(48-33(5)27-30(2)28-34(48)6)44-24-20-40(56-44)50(38-18-22-42(51)54-38)36-14-10-12-16-46(36)58-8/h9-28,53-56H,1-8H3
InChIKeyHUFUAPJSZFCRJQ-UHFFFAOYSA-N
MW760.98 g/mol
LogP8.17
Rot. Bonds6

About 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin

5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91412808) has the molecular formula C52H48N4O2 and a molecular weight of 760.98 g/mol. Its IUPAC name is 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91412808
Molecular FormulaC52H48N4O2
Molecular Weight760.98 g/mol
Exact Mass760.38
IUPAC Name5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCOc1ccccc1C1=c2ccc([nH]2)=C(c2c(C)cc(C)cc2C)c2ccc([nH]2)C(c2ccccc2OC)=c2ccc([nH]2)=C(c2c(C)cc(C)cc2C)c2ccc1[nH]2
InChIInChI=1S/C52H48N4O2/c1-29-25-31(3)47(32(4)26-29)51-41-21-17-37(53-41)49(35-13-9-11-15-45(35)57-7)39-19-23-43(55-39)52(48-33(5)27-30(2)28-34(48)6)44-24-20-40(56-44)50(38-18-22-42(51)54-38)36-14-10-12-16-46(36)58-8/h9-28,53-56H,1-8H3
InChIKeyHUFUAPJSZFCRJQ-UHFFFAOYSA-N
XLogP8.17
TPSA81.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 58.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin with MolForge

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Related Compounds

5,15-bis(3-ethynylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 90820703
5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91023938
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole
CID 164676483
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene
CID 167525314
1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 102022275
1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol
CID 126672446
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
2-[2-[2,3-bis(2,4,6-trimethylphenyl)phenoxy]-6-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 151096565

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 91412808) is 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin is COc1ccccc1C1=c2ccc([nH]2)=C(c2c(C)cc(C)cc2C)c2ccc([nH]2)C(c2ccccc2OC)=c2ccc([nH]2)=C(c2c(C)cc(C)cc2C)c2ccc1[nH]2.
What is the InChIKey of 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is HUFUAPJSZFCRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N4O2/c1-29-25-31(3)47(32(4)26-29)51-41-21-17-37(53-41)49(35-13-9-11-15-45(35)57-7)39-19-23-43(55-39)52(48-33(5)27-30(2)28-34(48)6)44-24-20-40(56-44)50(38-18-22-42(51)54-38)36-14-10-12-16-46(36)58-8/h9-28,53-56H,1-8H3.
What are the key properties of 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 760.98 g/mol, XLogP of 8.17, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91412808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).