5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin

C184H190N12O2 — CID 101209307

IUPAC5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccc(COc6ccc(-c7ccnc8c7ccc7c(CCc9ccc(CCc%10ccnc%11c%10ccc%10c(-c%12ccc(OCc%13ccc(-c%14c%15nc(c(-c%16cc(C(C)(C)C)cc(C(C)(C)C)c%16)c%16ccc([nH]%16)c(-c%16cc(C(C)(C)C)cc(C(C)(C)C)c%16)c%16nc(c(-c%17cc(C(C)(C)C)cc(C(C)(C)C)c%17)c%17ccc%14[nH]%17)C=C%16)C=C%15)cc%13)cc%12)ccnc%10%11)cc9)ccnc78)cc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C184H190N12O2/c1-173(2,3)125-89-119(90-126(101-125)174(4,5)6)163-149-69-65-145(189-149)161(146-66-70-150(190-146)164(120-91-127(175(7,8)9)102-128(92-120)176(10,11)12)154-74-78-158(194-154)167(157-77-73-153(163)193-157)123-97-133(181(25,26)27)105-134(98-123)182(28,29)30)117-49-43-111(44-50-117)107-197-137-57-53-113(54-58-137)139-83-87-187-171-143(139)63-61-141-115(81-85-185-169(141)171)47-41-109-37-39-110(40-38-109)42-48-116-82-86-186-170-142(116)62-64-144-140(84-88-188-172(144)170)114-55-59-138(60-56-114)198-108-112-45-51-118(52-46-112)162-147-67-71-151(191-147)165(121-93-129(177(13,14)15)103-130(94-121)178(16,17)18)155-75-79-159(195-155)168(124-99-135(183(31,32)33)106-136(100-124)184(34,35)36)160-80-76-156(196-160)166(152-72-68-148(162)192-152)122-95-131(179(19,20)21)104-132(96-122)180(22,23)24/h37-40,43-46,49-106,189,191,194,196H,41-42,47-48,107-108H2,1-36H3/b161-145-,161-146-,162-147-,162-148-,163-149-,163-153-,164-150-,164-154-,165-151-,165-155-,166-152-,166-156-,167-157-,167-158-,168-159-,168-160-
InChIKeyXXZRUINGCBKVJT-ULQVUZHQSA-N
MW2601.63 g/mol
LogP48.79
Rot. Bonds22

About 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin

5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin (PubChem CID 101209307) has the molecular formula C184H190N12O2 and a molecular weight of 2601.63 g/mol. Its IUPAC name is 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin
PubChem CID101209307
Molecular FormulaC184H190N12O2
Molecular Weight2601.63 g/mol
Exact Mass2599.51
IUPAC Name5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccc(COc6ccc(-c7ccnc8c7ccc7c(CCc9ccc(CCc%10ccnc%11c%10ccc%10c(-c%12ccc(OCc%13ccc(-c%14c%15nc(c(-c%16cc(C(C)(C)C)cc(C(C)(C)C)c%16)c%16ccc([nH]%16)c(-c%16cc(C(C)(C)C)cc(C(C)(C)C)c%16)c%16nc(c(-c%17cc(C(C)(C)C)cc(C(C)(C)C)c%17)c%17ccc%14[nH]%17)C=C%16)C=C%15)cc%13)cc%12)ccnc%10%11)cc9)ccnc78)cc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C184H190N12O2/c1-173(2,3)125-89-119(90-126(101-125)174(4,5)6)163-149-69-65-145(189-149)161(146-66-70-150(190-146)164(120-91-127(175(7,8)9)102-128(92-120)176(10,11)12)154-74-78-158(194-154)167(157-77-73-153(163)193-157)123-97-133(181(25,26)27)105-134(98-123)182(28,29)30)117-49-43-111(44-50-117)107-197-137-57-53-113(54-58-137)139-83-87-187-171-143(139)63-61-141-115(81-85-185-169(141)171)47-41-109-37-39-110(40-38-109)42-48-116-82-86-186-170-142(116)62-64-144-140(84-88-188-172(144)170)114-55-59-138(60-56-114)198-108-112-45-51-118(52-46-112)162-147-67-71-151(191-147)165(121-93-129(177(13,14)15)103-130(94-121)178(16,17)18)155-75-79-159(195-155)168(124-99-135(183(31,32)33)106-136(100-124)184(34,35)36)160-80-76-156(196-160)166(152-72-68-148(162)192-152)122-95-131(179(19,20)21)104-132(96-122)180(22,23)24/h37-40,43-46,49-106,189,191,194,196H,41-42,47-48,107-108H2,1-36H3/b161-145-,161-146-,162-147-,162-148-,163-149-,163-153-,164-150-,164-154-,165-151-,165-155-,166-152-,166-156-,167-157-,167-158-,168-159-,168-160-
InChIKeyXXZRUINGCBKVJT-ULQVUZHQSA-N
XLogP48.79
TPSA184.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002601.63
LogP ≤ 548.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin (CID 101209307) is 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin is CC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccc(COc6ccc(-c7ccnc8c7ccc7c(CCc9ccc(CCc%10ccnc%11c%10ccc%10c(-c%12ccc(OCc%13ccc(-c%14c%15nc(c(-c%16cc(C(C)(C)C)cc(C(C)(C)C)c%16)c%16ccc([nH]%16)c(-c%16cc(C(C)(C)C)cc(C(C)(C)C)c%16)c%16nc(c(-c%17cc(C(C)(C)C)cc(C(C)(C)C)c%17)c%17ccc%14[nH]%17)C=C%16)C=C%15)cc%13)cc%12)ccnc%10%11)cc9)ccnc78)cc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1.
What is the InChIKey of 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin?
The InChIKey is XXZRUINGCBKVJT-ULQVUZHQSA-N. The full InChI is InChI=1S/C184H190N12O2/c1-173(2,3)125-89-119(90-126(101-125)174(4,5)6)163-149-69-65-145(189-149)161(146-66-70-150(190-146)164(120-91-127(175(7,8)9)102-128(92-120)176(10,11)12)154-74-78-158(194-154)167(157-77-73-153(163)193-157)123-97-133(181(25,26)27)105-134(98-123)182(28,29)30)117-49-43-111(44-50-117)107-197-137-57-53-113(54-58-137)139-83-87-187-171-143(139)63-61-141-115(81-85-185-169(141)171)47-41-109-37-39-110(40-38-109)42-48-116-82-86-186-170-142(116)62-64-144-140(84-88-188-172(144)170)114-55-59-138(60-56-114)198-108-112-45-51-118(52-46-112)162-147-67-71-151(191-147)165(121-93-129(177(13,14)15)103-130(94-121)178(16,17)18)155-75-79-159(195-155)168(124-99-135(183(31,32)33)106-136(100-124)184(34,35)36)160-80-76-156(196-160)166(152-72-68-148(162)192-152)122-95-131(179(19,20)21)104-132(96-122)180(22,23)24/h37-40,43-46,49-106,189,191,194,196H,41-42,47-48,107-108H2,1-36H3/b161-145-,161-146-,162-147-,162-148-,163-149-,163-153-,164-150-,164-154-,165-151-,165-155-,166-152-,166-156-,167-157-,167-158-,168-159-,168-160-.
What are the key properties of 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin?
5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin has a molecular weight of 2601.63 g/mol, XLogP of 48.79, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(3,5-ditert-butylphenyl)-20-[4-[[4-[7-[2-[4-[2-[7-[4-[[4-[10,15,20-tris(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthrolin-4-yl]phenoxy]methyl]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 101209307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).