5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin

C114H118N4O8 — CID 100983831

IUPAC5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin
SMILESCCCOc1c2cccc1Cc1cccc(c1OCCC)Cc1cc(-c3c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5cc6c(OCCC)c(c5)Cc5cccc(c5OCCC)Cc5cccc(c5OCCC)Cc5cccc(c5OCCC)C6)c5nc(c(-c6ccc(C)cc6)c6ccc3[nH]6)C=C5)C=C4)cc(c1OCCC)Cc1cccc(c1OCCC)C2
InChIInChI=1S/C114H118N4O8/c1-11-53-119-107-77-25-19-26-78(107)62-82-30-22-34-86(110(82)122-56-14-4)66-92-70-89(69-91(113(92)125-59-17-7)65-85-33-21-29-81(61-77)109(85)121-55-13-3)105-99-49-45-95(115-99)103(75-41-37-73(9)38-42-75)97-47-51-101(117-97)106(102-52-48-98(118-102)104(96-46-50-100(105)116-96)76-43-39-74(10)40-44-76)90-71-93-67-87-35-23-31-83(111(87)123-57-15-5)63-79-27-20-28-80(108(79)120-54-12-2)64-84-32-24-36-88(112(84)124-58-16-6)68-94(72-90)114(93)126-60-18-8/h19-52,69-72,115,118H,11-18,53-68H2,1-10H3/b103-95-,103-97-,104-96-,104-98-,105-99-,105-100-,106-101-,106-102-
InChIKeyZFAFRGUFZIMUNW-WDHJPXOYSA-N
MW1672.22 g/mol
LogP27.60
Rot. Bonds28

About 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin

5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin (PubChem CID 100983831) has the molecular formula C114H118N4O8 and a molecular weight of 1672.22 g/mol. Its IUPAC name is 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin
PubChem CID100983831
Molecular FormulaC114H118N4O8
Molecular Weight1672.22 g/mol
Exact Mass1670.89
IUPAC Name5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin
SMILESCCCOc1c2cccc1Cc1cccc(c1OCCC)Cc1cc(-c3c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5cc6c(OCCC)c(c5)Cc5cccc(c5OCCC)Cc5cccc(c5OCCC)Cc5cccc(c5OCCC)C6)c5nc(c(-c6ccc(C)cc6)c6ccc3[nH]6)C=C5)C=C4)cc(c1OCCC)Cc1cccc(c1OCCC)C2
InChIInChI=1S/C114H118N4O8/c1-11-53-119-107-77-25-19-26-78(107)62-82-30-22-34-86(110(82)122-56-14-4)66-92-70-89(69-91(113(92)125-59-17-7)65-85-33-21-29-81(61-77)109(85)121-55-13-3)105-99-49-45-95(115-99)103(75-41-37-73(9)38-42-75)97-47-51-101(117-97)106(102-52-48-98(118-102)104(96-46-50-100(105)116-96)76-43-39-74(10)40-44-76)90-71-93-67-87-35-23-31-83(111(87)123-57-15-5)63-79-27-20-28-80(108(79)120-54-12-2)64-84-32-24-36-88(112(84)124-58-16-6)68-94(72-90)114(93)126-60-18-8/h19-52,69-72,115,118H,11-18,53-68H2,1-10H3/b103-95-,103-97-,104-96-,104-98-,105-99-,105-100-,106-101-,106-102-
InChIKeyZFAFRGUFZIMUNW-WDHJPXOYSA-N
XLogP27.60
TPSA131.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001672.22
LogP ≤ 527.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5,10,15,20-tetrakis(3,4,5-trioctadecoxyphenyl)-21,23-dihydroporphyrin
CID 139249949
4-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[4-oxo-4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]anilino]butoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide
CID 102152812
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
5,10,15,20-tetrakis[4-hexoxy-3,5-di(propan-2-yl)phenyl]-21,23-dihydroporphyrin
CID 136711243
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
5,11,17,23-tetrakis[4-(4-methylphenyl)phenyl]-25,26,27,28-tetra(nonoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101413618
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin (CID 100983831) is 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin is CCCOc1c2cccc1Cc1cccc(c1OCCC)Cc1cc(-c3c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5cc6c(OCCC)c(c5)Cc5cccc(c5OCCC)Cc5cccc(c5OCCC)Cc5cccc(c5OCCC)C6)c5nc(c(-c6ccc(C)cc6)c6ccc3[nH]6)C=C5)C=C4)cc(c1OCCC)Cc1cccc(c1OCCC)C2.
What is the InChIKey of 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin?
The InChIKey is ZFAFRGUFZIMUNW-WDHJPXOYSA-N. The full InChI is InChI=1S/C114H118N4O8/c1-11-53-119-107-77-25-19-26-78(107)62-82-30-22-34-86(110(82)122-56-14-4)66-92-70-89(69-91(113(92)125-59-17-7)65-85-33-21-29-81(61-77)109(85)121-55-13-3)105-99-49-45-95(115-99)103(75-41-37-73(9)38-42-75)97-47-51-101(117-97)106(102-52-48-98(118-102)104(96-46-50-100(105)116-96)76-43-39-74(10)40-44-76)90-71-93-67-87-35-23-31-83(111(87)123-57-15-5)63-79-27-20-28-80(108(79)120-54-12-2)64-84-32-24-36-88(112(84)124-58-16-6)68-94(72-90)114(93)126-60-18-8/h19-52,69-72,115,118H,11-18,53-68H2,1-10H3/b103-95-,103-97-,104-96-,104-98-,105-99-,105-100-,106-101-,106-102-.
What are the key properties of 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin?
5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin has a molecular weight of 1672.22 g/mol, XLogP of 27.60, 28 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(4-methylphenyl)-10,20-bis(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 100983831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).