5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin

C156H166N12 — CID 101057335

IUPAC5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc([nH]6)c(-c6c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc([nH]8)c(-c8ccccc8)c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6nc(c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc4[nH]7)C=C6)C=C5)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C156H166N12/c1-145(2,3)97-71-91(72-98(83-97)146(4,5)6)135-113-51-47-109(157-113)133(89-43-39-37-40-44-89)110-48-52-114(158-110)136(92-73-99(147(7,8)9)84-100(74-92)148(10,11)12)118-56-64-126(162-118)141(125-63-55-117(135)161-125)143-129-67-59-121(165-129)139(95-79-105(153(25,26)27)87-106(80-95)154(28,29)30)123-61-69-131(167-123)144(132-70-62-124(168-132)140(122-60-68-130(143)166-122)96-81-107(155(31,32)33)88-108(82-96)156(34,35)36)142-127-65-57-119(163-127)137(93-75-101(149(13,14)15)85-102(76-93)150(16,17)18)115-53-49-111(159-115)134(90-45-41-38-42-46-90)112-50-54-116(160-112)138(120-58-66-128(142)164-120)94-77-103(151(19,20)21)86-104(78-94)152(22,23)24/h37-88,157,159,162,164-165,168H,1-36H3/b133-109-,133-110-,134-111-,134-112-,135-113-,135-117-,136-114-,136-118-,137-115-,137-119-,138-116-,138-120-,139-121-,139-123-,140-122-,140-124-,141-125+,141-126+,142-127+,142-128+,143-129+,143-130+,144-131+,144-132+
InChIKeyOEBCOTUUUBTACP-YJZNKAIOSA-N
MW2209.13 g/mol
LogP42.83
Rot. Bonds10

About 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin

5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin (PubChem CID 101057335) has the molecular formula C156H166N12 and a molecular weight of 2209.13 g/mol. Its IUPAC name is 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
PubChem CID101057335
Molecular FormulaC156H166N12
Molecular Weight2209.13 g/mol
Exact Mass2207.34
IUPAC Name5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc([nH]6)c(-c6c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc([nH]8)c(-c8ccccc8)c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6nc(c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc4[nH]7)C=C6)C=C5)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C156H166N12/c1-145(2,3)97-71-91(72-98(83-97)146(4,5)6)135-113-51-47-109(157-113)133(89-43-39-37-40-44-89)110-48-52-114(158-110)136(92-73-99(147(7,8)9)84-100(74-92)148(10,11)12)118-56-64-126(162-118)141(125-63-55-117(135)161-125)143-129-67-59-121(165-129)139(95-79-105(153(25,26)27)87-106(80-95)154(28,29)30)123-61-69-131(167-123)144(132-70-62-124(168-132)140(122-60-68-130(143)166-122)96-81-107(155(31,32)33)88-108(82-96)156(34,35)36)142-127-65-57-119(163-127)137(93-75-101(149(13,14)15)85-102(76-93)150(16,17)18)115-53-49-111(159-115)134(90-45-41-38-42-46-90)112-50-54-116(160-112)138(120-58-66-128(142)164-120)94-77-103(151(19,20)21)86-104(78-94)152(22,23)24/h37-88,157,159,162,164-165,168H,1-36H3/b133-109-,133-110-,134-111-,134-112-,135-113-,135-117-,136-114-,136-118-,137-115-,137-119-,138-116-,138-120-,139-121-,139-123-,140-122-,140-124-,141-125+,141-126+,142-127+,142-128+,143-129+,143-130+,144-131+,144-132+
InChIKeyOEBCOTUUUBTACP-YJZNKAIOSA-N
XLogP42.83
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.13
LogP ≤ 542.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,15-bis(3,5-ditert-butylphenyl)-10-phenyl-20-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-21,23-dihydroporphyrin
CID 56652465
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315
5,20-bis(3,5-ditert-butylphenyl)-10,15-bis(4-iodophenyl)-21,23-dihydroporphyrin
CID 135501292
CID 102263484
CID 102263484
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-ethynylphenyl)-21,23-dihydroporphyrin
CID 136691495
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136729112
5,15-bis(3,5-ditert-butylphenyl)-10-phenyl-20-pyren-1-yl-21,23-dihydroporphyrin
CID 136785348
5,10,15-tris(3,5-ditert-butylphenyl)-20-iodo-21,23-dihydroporphyrin
CID 135491289
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis[(E)-2-phenylethenyl]-21,23-dihydroporphyrin
CID 135399612
5,10,15-tris(4-tert-butylphenyl)-22,24-dihydro-21H-corrin
CID 74788342
4-[4-[10-[4-(4-cyanophenyl)phenyl]-15,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]benzonitrile
CID 136812073
15-[4-(bromomethyl)phenyl]-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin
CID 10235241

Frequently Asked Questions

What is the IUPAC name of 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin (CID 101057335) is 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin is CC(C)(C)c1cc(-c2c3nc(c(-c4c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc([nH]6)c(-c6c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc([nH]8)c(-c8ccccc8)c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6nc(c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc4[nH]7)C=C6)C=C5)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1.
What is the InChIKey of 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin?
The InChIKey is OEBCOTUUUBTACP-YJZNKAIOSA-N. The full InChI is InChI=1S/C156H166N12/c1-145(2,3)97-71-91(72-98(83-97)146(4,5)6)135-113-51-47-109(157-113)133(89-43-39-37-40-44-89)110-48-52-114(158-110)136(92-73-99(147(7,8)9)84-100(74-92)148(10,11)12)118-56-64-126(162-118)141(125-63-55-117(135)161-125)143-129-67-59-121(165-129)139(95-79-105(153(25,26)27)87-106(80-95)154(28,29)30)123-61-69-131(167-123)144(132-70-62-124(168-132)140(122-60-68-130(143)166-122)96-81-107(155(31,32)33)88-108(82-96)156(34,35)36)142-127-65-57-119(163-127)137(93-75-101(149(13,14)15)85-102(76-93)150(16,17)18)115-53-49-111(159-115)134(90-45-41-38-42-46-90)112-50-54-116(160-112)138(120-58-66-128(142)164-120)94-77-103(151(19,20)21)86-104(78-94)152(22,23)24/h37-88,157,159,162,164-165,168H,1-36H3/b133-109-,133-110-,134-111-,134-112-,135-113-,135-117-,136-114-,136-118-,137-115-,137-119-,138-116-,138-120-,139-121-,139-123-,140-122-,140-124-,141-125+,141-126+,142-127+,142-128+,143-129+,143-130+,144-131+,144-132+.
What are the key properties of 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin?
5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin has a molecular weight of 2209.13 g/mol, XLogP of 42.83, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 101057335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).