2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate

C166H140N8O14 — CID 102348939

IUPAC2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate
SMILESCc1ccc(-c2cc3c4c(cc(-c5ccc(C)cc5)c5c6c(-c7ccc(C)cc7)cc7c8c(cc(-c9ccc(C)cc9)c(c2c45)c86)C(=O)N(CCOC(=O)c2cc(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c2)C7=O)C(=O)N(CCOC(=O)c2cc(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c2)C3=O)cc1
InChIInChI=1S/C166H140N8O14/c1-105-65-73-109(74-66-105)127-101-131-151-132(162(176)173(161(131)175)87-95-187-165(179)113-97-147(181-89-35-29-81-167-135-53-17-5-41-115(135)116-42-6-18-54-136(116)167)159(185-93-39-33-85-171-143-61-25-13-49-123(143)124-50-14-26-62-144(124)171)148(98-113)182-90-36-30-82-168-137-55-19-7-43-117(137)118-44-8-20-56-138(118)168)103-129(111-77-69-107(3)70-78-111)155-156-130(112-79-71-108(4)72-80-112)104-134-152-133(102-128(110-75-67-106(2)68-76-110)154(158(152)156)153(127)157(151)155)163(177)174(164(134)178)88-96-188-166(180)114-99-149(183-91-37-31-83-169-139-57-21-9-45-119(139)120-46-10-22-58-140(120)169)160(186-94-40-34-86-172-145-63-27-15-51-125(145)126-52-16-28-64-146(126)172)150(100-114)184-92-38-32-84-170-141-59-23-11-47-121(141)122-48-12-24-60-142(122)170/h5-28,41-80,97-104H,29-40,81-96H2,1-4H3
InChIKeyRLYLXZQVNWWIEP-UHFFFAOYSA-N
MW2470.99 g/mol
LogP38.35
Rot. Bonds48

About 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate

2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate (PubChem CID 102348939) has the molecular formula C166H140N8O14 and a molecular weight of 2470.99 g/mol. Its IUPAC name is 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate.

Molecular Properties

Compound Name2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate
PubChem CID102348939
Molecular FormulaC166H140N8O14
Molecular Weight2470.99 g/mol
Exact Mass2469.05
IUPAC Name2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate
SMILESCc1ccc(-c2cc3c4c(cc(-c5ccc(C)cc5)c5c6c(-c7ccc(C)cc7)cc7c8c(cc(-c9ccc(C)cc9)c(c2c45)c86)C(=O)N(CCOC(=O)c2cc(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c2)C7=O)C(=O)N(CCOC(=O)c2cc(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c2)C3=O)cc1
InChIInChI=1S/C166H140N8O14/c1-105-65-73-109(74-66-105)127-101-131-151-132(162(176)173(161(131)175)87-95-187-165(179)113-97-147(181-89-35-29-81-167-135-53-17-5-41-115(135)116-42-6-18-54-136(116)167)159(185-93-39-33-85-171-143-61-25-13-49-123(143)124-50-14-26-62-144(124)171)148(98-113)182-90-36-30-82-168-137-55-19-7-43-117(137)118-44-8-20-56-138(118)168)103-129(111-77-69-107(3)70-78-111)155-156-130(112-79-71-108(4)72-80-112)104-134-152-133(102-128(110-75-67-106(2)68-76-110)154(158(152)156)153(127)157(151)155)163(177)174(164(134)178)88-96-188-166(180)114-99-149(183-91-37-31-83-169-139-57-21-9-45-119(139)120-46-10-22-58-140(120)169)160(186-94-40-34-86-172-145-63-27-15-51-125(145)126-52-16-28-64-146(126)172)150(100-114)184-92-38-32-84-170-141-59-23-11-47-121(141)122-48-12-24-60-142(122)170/h5-28,41-80,97-104H,29-40,81-96H2,1-4H3
InChIKeyRLYLXZQVNWWIEP-UHFFFAOYSA-N
XLogP38.35
TPSA212.32 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002470.99
LogP ≤ 538.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate with MolForge

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Related Compounds

9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole
CID 59270967
4-O-(20-carbazol-9-ylicosyl) 1-O-methyl benzene-1,4-dicarboxylate
CID 101086038
2-[12-(4-methyl-2-phenylphenoxy)dodecyl]isoindole-1,3-dione
CID 70494668
2-(1,3-dioxoisoindol-2-yl)ethyl 3,5-difluorobenzoate
CID 4545184
2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7175518
2-(1,3-dioxoisoindol-2-yl)ethyl 2,4-dimethylbenzoate
CID 2544102
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275061
4-(1,3-dioxoisoindol-2-yl)butyl 2,5-dimethylbenzoate
CID 16523651
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
4-(1,3-dioxoisoindol-2-yl)butyl 6-methylpyridine-3-carboxylate
CID 18170136
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022

Frequently Asked Questions

What is the IUPAC name of 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate?
The IUPAC name of 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate (CID 102348939) is 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate.
What is the SMILES notation for 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate?
The canonical SMILES for 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate is Cc1ccc(-c2cc3c4c(cc(-c5ccc(C)cc5)c5c6c(-c7ccc(C)cc7)cc7c8c(cc(-c9ccc(C)cc9)c(c2c45)c86)C(=O)N(CCOC(=O)c2cc(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c2)C7=O)C(=O)N(CCOC(=O)c2cc(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c(OCCCCn4c5ccccc5c5ccccc54)c2)C3=O)cc1.
What is the InChIKey of 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate?
The InChIKey is RLYLXZQVNWWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H140N8O14/c1-105-65-73-109(74-66-105)127-101-131-151-132(162(176)173(161(131)175)87-95-187-165(179)113-97-147(181-89-35-29-81-167-135-53-17-5-41-115(135)116-42-6-18-54-136(116)167)159(185-93-39-33-85-171-143-61-25-13-49-123(143)124-50-14-26-62-144(124)171)148(98-113)182-90-36-30-82-168-137-55-19-7-43-117(137)118-44-8-20-56-138(118)168)103-129(111-77-69-107(3)70-78-111)155-156-130(112-79-71-108(4)72-80-112)104-134-152-133(102-128(110-75-67-106(2)68-76-110)154(158(152)156)153(127)157(151)155)163(177)174(164(134)178)88-96-188-166(180)114-99-149(183-91-37-31-83-169-139-57-21-9-45-119(139)120-46-10-22-58-140(120)169)160(186-94-40-34-86-172-145-63-27-15-51-125(145)126-52-16-28-64-146(126)172)150(100-114)184-92-38-32-84-170-141-59-23-11-47-121(141)122-48-12-24-60-142(122)170/h5-28,41-80,97-104H,29-40,81-96H2,1-4H3.
What are the key properties of 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate?
2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate has a molecular weight of 2470.99 g/mol, XLogP of 38.35, 48 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate is sourced from PubChem (CID 102348939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).