5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin

C182H152N14 — CID 134941824

IUPAC5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4ccc(-c5ccc6c7ccccc7n(Cc7ccc(-c8c9nc(c(-c%10c(C)cc(C)cc%10C)c%10ccc([nH]%10)c(-c%10c(C)cc(C)cc%10C)c%10nc(c(-c%11c(C)cc(C)cc%11C)c%11ccc8[nH]%11)C=C%10)C=C9)cc7)c6c5)cc4)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5ccc(-c6ccc7c8ccccc8n(Cc8ccc(-c9c%10nc(c(-c%11c(C)cc(C)cc%11C)c%11ccc([nH]%11)c(-c%11c(C)cc(C)cc%11C)c%11nc(c(-c%12c(C)cc(C)cc%12C)c%12ccc9[nH]%12)C=C%11)C=C%10)cc8)c7c6)cc5)c5ccc2[nH]5)C=C4)C=C3)c(C)c1
InChIInChI=1S/C182H152N14/c1-97-77-105(9)163(106(10)78-97)175-143-65-57-139(187-143)173(127-45-41-123(42-46-127)129-49-51-133-131-29-25-27-31-159(131)195(161(133)93-129)95-121-33-37-125(38-34-121)171-135-53-61-147(183-135)177(165-109(13)81-99(3)82-110(165)14)151-69-73-155(191-151)181(169-117(21)89-103(7)90-118(169)22)156-74-70-152(192-156)178(148-62-54-136(171)184-148)166-111(15)83-100(4)84-112(166)16)141-59-67-145(189-141)176(164-107(11)79-98(2)80-108(164)12)146-68-60-142(190-146)174(140-58-66-144(175)188-140)128-47-43-124(44-48-128)130-50-52-134-132-30-26-28-32-160(132)196(162(134)94-130)96-122-35-39-126(40-36-122)172-137-55-63-149(185-137)179(167-113(17)85-101(5)86-114(167)18)153-71-75-157(193-153)182(170-119(23)91-104(8)92-120(170)24)158-76-72-154(194-158)180(150-64-56-138(172)186-150)168-115(19)87-102(6)88-116(168)20/h25-94,183,185,187,190,192,194H,95-96H2,1-24H3/b171-135-,171-136-,172-137-,172-138-,173-139-,173-141-,174-140-,174-142-,175-143+,175-144+,176-145+,176-146+,177-147+,177-151+,178-148+,178-152+,179-149+,179-153+,180-150+,180-154+,181-155+,181-156+,182-157+,182-158+
InChIKeyMNPKSTHCGILUEI-VIUZZLNUSA-N
MW2535.32 g/mol
LogP47.65
Rot. Bonds18

About 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin

5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin (PubChem CID 134941824) has the molecular formula C182H152N14 and a molecular weight of 2535.32 g/mol. Its IUPAC name is 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin
PubChem CID134941824
Molecular FormulaC182H152N14
Molecular Weight2535.32 g/mol
Exact Mass2533.23
IUPAC Name5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4ccc(-c5ccc6c7ccccc7n(Cc7ccc(-c8c9nc(c(-c%10c(C)cc(C)cc%10C)c%10ccc([nH]%10)c(-c%10c(C)cc(C)cc%10C)c%10nc(c(-c%11c(C)cc(C)cc%11C)c%11ccc8[nH]%11)C=C%10)C=C9)cc7)c6c5)cc4)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5ccc(-c6ccc7c8ccccc8n(Cc8ccc(-c9c%10nc(c(-c%11c(C)cc(C)cc%11C)c%11ccc([nH]%11)c(-c%11c(C)cc(C)cc%11C)c%11nc(c(-c%12c(C)cc(C)cc%12C)c%12ccc9[nH]%12)C=C%11)C=C%10)cc8)c7c6)cc5)c5ccc2[nH]5)C=C4)C=C3)c(C)c1
InChIInChI=1S/C182H152N14/c1-97-77-105(9)163(106(10)78-97)175-143-65-57-139(187-143)173(127-45-41-123(42-46-127)129-49-51-133-131-29-25-27-31-159(131)195(161(133)93-129)95-121-33-37-125(38-34-121)171-135-53-61-147(183-135)177(165-109(13)81-99(3)82-110(165)14)151-69-73-155(191-151)181(169-117(21)89-103(7)90-118(169)22)156-74-70-152(192-156)178(148-62-54-136(171)184-148)166-111(15)83-100(4)84-112(166)16)141-59-67-145(189-141)176(164-107(11)79-98(2)80-108(164)12)146-68-60-142(190-146)174(140-58-66-144(175)188-140)128-47-43-124(44-48-128)130-50-52-134-132-30-26-28-32-160(132)196(162(134)94-130)96-122-35-39-126(40-36-122)172-137-55-63-149(185-137)179(167-113(17)85-101(5)86-114(167)18)153-71-75-157(193-153)182(170-119(23)91-104(8)92-120(170)24)158-76-72-154(194-158)180(150-64-56-138(172)186-150)168-115(19)87-102(6)88-116(168)20/h25-94,183,185,187,190,192,194H,95-96H2,1-24H3/b171-135-,171-136-,172-137-,172-138-,173-139-,173-141-,174-140-,174-142-,175-143+,175-144+,176-145+,176-146+,177-147+,177-151+,178-148+,178-152+,179-149+,179-153+,180-150+,180-154+,181-155+,181-156+,182-157+,182-158+
InChIKeyMNPKSTHCGILUEI-VIUZZLNUSA-N
XLogP47.65
TPSA181.94 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002535.32
LogP ≤ 547.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin (CID 134941824) is 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin is Cc1cc(C)c(-c2c3nc(c(-c4ccc(-c5ccc6c7ccccc7n(Cc7ccc(-c8c9nc(c(-c%10c(C)cc(C)cc%10C)c%10ccc([nH]%10)c(-c%10c(C)cc(C)cc%10C)c%10nc(c(-c%11c(C)cc(C)cc%11C)c%11ccc8[nH]%11)C=C%10)C=C9)cc7)c6c5)cc4)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(c(-c5ccc(-c6ccc7c8ccccc8n(Cc8ccc(-c9c%10nc(c(-c%11c(C)cc(C)cc%11C)c%11ccc([nH]%11)c(-c%11c(C)cc(C)cc%11C)c%11nc(c(-c%12c(C)cc(C)cc%12C)c%12ccc9[nH]%12)C=C%11)C=C%10)cc8)c7c6)cc5)c5ccc2[nH]5)C=C4)C=C3)c(C)c1.
What is the InChIKey of 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin?
The InChIKey is MNPKSTHCGILUEI-VIUZZLNUSA-N. The full InChI is InChI=1S/C182H152N14/c1-97-77-105(9)163(106(10)78-97)175-143-65-57-139(187-143)173(127-45-41-123(42-46-127)129-49-51-133-131-29-25-27-31-159(131)195(161(133)93-129)95-121-33-37-125(38-34-121)171-135-53-61-147(183-135)177(165-109(13)81-99(3)82-110(165)14)151-69-73-155(191-151)181(169-117(21)89-103(7)90-118(169)22)156-74-70-152(192-156)178(148-62-54-136(171)184-148)166-111(15)83-100(4)84-112(166)16)141-59-67-145(189-141)176(164-107(11)79-98(2)80-108(164)12)146-68-60-142(190-146)174(140-58-66-144(175)188-140)128-47-43-124(44-48-128)130-50-52-134-132-30-26-28-32-160(132)196(162(134)94-130)96-122-35-39-126(40-36-122)172-137-55-63-149(185-137)179(167-113(17)85-101(5)86-114(167)18)153-71-75-157(193-153)182(170-119(23)91-104(8)92-120(170)24)158-76-72-154(194-158)180(150-64-56-138(172)186-150)168-115(19)87-102(6)88-116(168)20/h25-94,183,185,187,190,192,194H,95-96H2,1-24H3/b171-135-,171-136-,172-137-,172-138-,173-139-,173-141-,174-140-,174-142-,175-143+,175-144+,176-145+,176-146+,177-147+,177-151+,178-148+,178-152+,179-149+,179-153+,180-150+,180-154+,181-155+,181-156+,182-157+,182-158+.
What are the key properties of 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin?
5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin has a molecular weight of 2535.32 g/mol, XLogP of 47.65, 18 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2,4,6-trimethylphenyl)-10,20-bis[4-[9-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]methyl]carbazol-2-yl]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 134941824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).