5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin

C101H96N8O2S2 — CID 102285935

IUPAC5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
SMILESCCCCC(CC)Oc1ccc(-c2c3nc(c(-c4ccc(-c5ccc(-c6c7nc(c(-c8c(C)cc(C)cc8C)c8ccc([nH]8)c(-c8c(C)cc(C)cc8C)c8nc(c(-c9c(C)cc(C)cc9C)c9ccc6[nH]9)C=C8)C=C7)s5)s4)c4ccc([nH]4)c(-c4ccc(OC(CC)CCCC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C101H96N8O2S2/c1-14-18-20-70(16-3)110-72-28-22-66(23-29-72)95-74-32-26-68(102-74)56-69-27-33-75(103-69)96(67-24-30-73(31-25-67)111-71(17-4)21-19-15-2)77-35-37-79(105-77)97(78-36-34-76(95)104-78)90-48-46-88(112-90)89-47-49-91(113-89)98-80-38-40-82(106-80)99(92-60(8)50-57(5)51-61(92)9)84-42-44-86(108-84)101(94-64(12)54-59(7)55-65(94)13)87-45-43-85(109-87)100(83-41-39-81(98)107-83)93-62(10)52-58(6)53-63(93)11/h22-56,70-71,102,105-106,109H,14-21H2,1-13H3/b68-56-,69-56-,95-74-,95-76-,96-75-,96-77-,97-78+,97-79+,98-80+,98-81+,99-82+,99-84+,100-83+,100-85+,101-86+,101-87+
InChIKeyAVCJYRXWCYILRY-ZYXKLOEHSA-N
MW1518.07 g/mol
LogP28.55
Rot. Bonds20

About 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin

5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin (PubChem CID 102285935) has the molecular formula C101H96N8O2S2 and a molecular weight of 1518.07 g/mol. Its IUPAC name is 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
PubChem CID102285935
Molecular FormulaC101H96N8O2S2
Molecular Weight1518.07 g/mol
Exact Mass1516.71
IUPAC Name5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
SMILESCCCCC(CC)Oc1ccc(-c2c3nc(c(-c4ccc(-c5ccc(-c6c7nc(c(-c8c(C)cc(C)cc8C)c8ccc([nH]8)c(-c8c(C)cc(C)cc8C)c8nc(c(-c9c(C)cc(C)cc9C)c9ccc6[nH]9)C=C8)C=C7)s5)s4)c4ccc([nH]4)c(-c4ccc(OC(CC)CCCC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C101H96N8O2S2/c1-14-18-20-70(16-3)110-72-28-22-66(23-29-72)95-74-32-26-68(102-74)56-69-27-33-75(103-69)96(67-24-30-73(31-25-67)111-71(17-4)21-19-15-2)77-35-37-79(105-77)97(78-36-34-76(95)104-78)90-48-46-88(112-90)89-47-49-91(113-89)98-80-38-40-82(106-80)99(92-60(8)50-57(5)51-61(92)9)84-42-44-86(108-84)101(94-64(12)54-59(7)55-65(94)13)87-45-43-85(109-87)100(83-41-39-81(98)107-83)93-62(10)52-58(6)53-63(93)11/h22-56,70-71,102,105-106,109H,14-21H2,1-13H3/b68-56-,69-56-,95-74-,95-76-,96-75-,96-77-,97-78+,97-79+,98-80+,98-81+,99-82+,99-84+,100-83+,100-85+,101-86+,101-87+
InChIKeyAVCJYRXWCYILRY-ZYXKLOEHSA-N
XLogP28.55
TPSA133.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001518.07
LogP ≤ 528.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,20-tris(4-propan-2-yloxyphenyl)-2,3,22,24-tetrahydroporphyrin
CID 136675181
5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
10-hexyl-15-(4-methylphenyl)-5-(2,4,6-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135863103
4-[20-bromo-15-(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]benzaldehyde
CID 135964269
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
5-[4-(1-bromopentoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 141235015
2-[[4-[10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]benzo[de]isoquinoline-1,3-dione
CID 136832857
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium
CID 135456186

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin (CID 102285935) is 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin is CCCCC(CC)Oc1ccc(-c2c3nc(c(-c4ccc(-c5ccc(-c6c7nc(c(-c8c(C)cc(C)cc8C)c8ccc([nH]8)c(-c8c(C)cc(C)cc8C)c8nc(c(-c9c(C)cc(C)cc9C)c9ccc6[nH]9)C=C8)C=C7)s5)s4)c4ccc([nH]4)c(-c4ccc(OC(CC)CCCC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The InChIKey is AVCJYRXWCYILRY-ZYXKLOEHSA-N. The full InChI is InChI=1S/C101H96N8O2S2/c1-14-18-20-70(16-3)110-72-28-22-66(23-29-72)95-74-32-26-68(102-74)56-69-27-33-75(103-69)96(67-24-30-73(31-25-67)111-71(17-4)21-19-15-2)77-35-37-79(105-77)97(78-36-34-76(95)104-78)90-48-46-88(112-90)89-47-49-91(113-89)98-80-38-40-82(106-80)99(92-60(8)50-57(5)51-61(92)9)84-42-44-86(108-84)101(94-64(12)54-59(7)55-65(94)13)87-45-43-85(109-87)100(83-41-39-81(98)107-83)93-62(10)52-58(6)53-63(93)11/h22-56,70-71,102,105-106,109H,14-21H2,1-13H3/b68-56-,69-56-,95-74-,95-76-,96-75-,96-77-,97-78+,97-79+,98-80+,98-81+,99-82+,99-84+,100-83+,100-85+,101-86+,101-87+.
What are the key properties of 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin has a molecular weight of 1518.07 g/mol, XLogP of 28.55, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-[10,20-bis(4-heptan-3-yloxyphenyl)-21,23-dihydroporphyrin-5-yl]thiophen-2-yl]thiophen-2-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 102285935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).