2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin

C144H126N12 — CID 100954800

IUPAC2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin
SMILESCCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(-c1cccc(CCc3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c1)c1nc(cc3[nH]c(c(C)c3CCCC)c2-c2cccc(CCc3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c2)C(CCCC)=C1C
InChIInChI=1S/C144H126N12/c1-9-13-63-107-89(5)139-137(103-61-41-43-93(83-103)67-69-105-85-127-133(99-53-33-21-34-54-99)119-77-75-115(147-119)129(95-45-25-17-26-46-95)111-71-73-113(145-111)131(97-49-29-19-30-50-97)117-79-81-121(149-117)135(143(105)155-127)101-57-37-23-38-58-101)140-91(7)109(65-15-11-3)125(153-140)88-126-110(66-16-12-4)92(8)142(154-126)138(141-90(6)108(64-14-10-2)124(152-141)87-123(107)151-139)104-62-42-44-94(84-104)68-70-106-86-128-134(100-55-35-22-36-56-100)120-78-76-116(148-120)130(96-47-27-18-28-48-96)112-72-74-114(146-112)132(98-51-31-20-32-52-98)118-80-82-122(150-118)136(144(106)156-128)102-59-39-24-40-60-102/h17-62,71-88,145-146,151,154-156H,9-16,63-70H2,1-8H3/b123-87-,124-87-,125-88-,126-88-,129-111-,129-115-,130-112-,130-116-,131-113-,131-117-,132-114-,132-118-,133-119-,133-127-,134-120-,134-128-,135-121-,136-122-,139-137-,140-137-,141-138-,142-138-,143-135-,144-136-
InChIKeyLVHUAJHLURMRML-HGMOWEPRSA-N
MW2024.68 g/mol
LogP38.04
Rot. Bonds28

About 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin

2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin (PubChem CID 100954800) has the molecular formula C144H126N12 and a molecular weight of 2024.68 g/mol. Its IUPAC name is 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin
PubChem CID100954800
Molecular FormulaC144H126N12
Molecular Weight2024.68 g/mol
Exact Mass2023.02
IUPAC Name2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin
SMILESCCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(-c1cccc(CCc3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c1)c1nc(cc3[nH]c(c(C)c3CCCC)c2-c2cccc(CCc3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c2)C(CCCC)=C1C
InChIInChI=1S/C144H126N12/c1-9-13-63-107-89(5)139-137(103-61-41-43-93(83-103)67-69-105-85-127-133(99-53-33-21-34-54-99)119-77-75-115(147-119)129(95-45-25-17-26-46-95)111-71-73-113(145-111)131(97-49-29-19-30-50-97)117-79-81-121(149-117)135(143(105)155-127)101-57-37-23-38-58-101)140-91(7)109(65-15-11-3)125(153-140)88-126-110(66-16-12-4)92(8)142(154-126)138(141-90(6)108(64-14-10-2)124(152-141)87-123(107)151-139)104-62-42-44-94(84-104)68-70-106-86-128-134(100-55-35-22-36-56-100)120-78-76-116(148-120)130(96-47-27-18-28-48-96)112-72-74-114(146-112)132(98-51-31-20-32-52-98)118-80-82-122(150-118)136(144(106)156-128)102-59-39-24-40-60-102/h17-62,71-88,145-146,151,154-156H,9-16,63-70H2,1-8H3/b123-87-,124-87-,125-88-,126-88-,129-111-,129-115-,130-112-,130-116-,131-113-,131-117-,132-114-,132-118-,133-119-,133-127-,134-120-,134-128-,135-121-,136-122-,139-137-,140-137-,141-138-,142-138-,143-135-,144-136-
InChIKeyLVHUAJHLURMRML-HGMOWEPRSA-N
XLogP38.04
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002024.68
LogP ≤ 538.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

3-(2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136756470
3-(15-hexyl-10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136798654
2,3,7,13,17,18-hexaethyl-8,12-dimethyl-10-phenyl-22,24-dihydro-21H-corrin
CID 10650716
41,45,50,54-tetrahexyl-40,46,49,55-tetramethyl-7,32-dioxa-19,20-dithia-57,58,59,60-tetrazaoctacyclo[36.9.9.12,6.133,37.139,42.144,47.148,51.153,56]dohexaconta-1(48),2(62),3,5,33,35,37(61),38(56),39,41,43,45,47(59),49,51,53(57),54-heptadecaene
CID 136835177
2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 44519560
5-(3,5-didodecoxyphenyl)-15-[7-[15-(3,5-didodecoxyphenyl)-2,8,12,18-tetradodecyl-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-5-yl]naphthalen-2-yl]-2,8,12,18-tetradodecyl-3,7,13,17-tetramethyl-21,23-dihydroporphyrin
CID 101384471
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
5-(3,5-ditert-butylphenyl)-15-(4-ethynylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-21,22-dihydroporphyrin
CID 10677453
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653
[4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-23,24-dihydroporphyrin-5-yl]phenyl]methanol
CID 11105070
2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 44519396
5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 136801783

Frequently Asked Questions

What is the IUPAC name of 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin (CID 100954800) is 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin is CCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(-c1cccc(CCc3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c1)c1nc(cc3[nH]c(c(C)c3CCCC)c2-c2cccc(CCc3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c2)C(CCCC)=C1C.
What is the InChIKey of 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin?
The InChIKey is LVHUAJHLURMRML-HGMOWEPRSA-N. The full InChI is InChI=1S/C144H126N12/c1-9-13-63-107-89(5)139-137(103-61-41-43-93(83-103)67-69-105-85-127-133(99-53-33-21-34-54-99)119-77-75-115(147-119)129(95-45-25-17-26-46-95)111-71-73-113(145-111)131(97-49-29-19-30-50-97)117-79-81-121(149-117)135(143(105)155-127)101-57-37-23-38-58-101)140-91(7)109(65-15-11-3)125(153-140)88-126-110(66-16-12-4)92(8)142(154-126)138(141-90(6)108(64-14-10-2)124(152-141)87-123(107)151-139)104-62-42-44-94(84-104)68-70-106-86-128-134(100-55-35-22-36-56-100)120-78-76-116(148-120)130(96-47-27-18-28-48-96)112-72-74-114(146-112)132(98-51-31-20-32-52-98)118-80-82-122(150-118)136(144(106)156-128)102-59-39-24-40-60-102/h17-62,71-88,145-146,151,154-156H,9-16,63-70H2,1-8H3/b123-87-,124-87-,125-88-,126-88-,129-111-,129-115-,130-112-,130-116-,131-113-,131-117-,132-114-,132-118-,133-119-,133-127-,134-120-,134-128-,135-121-,136-122-,139-137-,140-137-,141-138-,142-138-,143-135-,144-136-.
What are the key properties of 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin?
2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin has a molecular weight of 2024.68 g/mol, XLogP of 38.04, 28 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis[3-[2-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethyl]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 100954800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).