6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C99H99N7O16 — CID 102474126

IUPAC6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCCCCCCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(Cc1ccc(-c2cc(-c4ccc(OCCOCCOCCOC)cc4)cc(-c4cccc(-c5cc(-c6ccc(OCCOCCOCCOC)cc6)cc(-c6ccc(CN7C(=O)c8ccc9c%10c(ccc(c8%10)C7=O)C(=O)N(CCCCCCCC)C9=O)cc6)n5)n4)n2)cc1)C3=O
InChIInChI=1S/C99H99N7O16/c1-5-7-9-11-13-15-44-103-92(107)74-36-40-78-90-79(41-37-75(88(74)90)93(103)108)97(112)105(96(78)111)62-64-20-24-68(25-21-64)84-58-70(66-28-32-72(33-29-66)121-56-54-119-52-50-117-48-46-115-3)60-86(101-84)82-18-17-19-83(100-82)87-61-71(67-30-34-73(35-31-67)122-57-55-120-53-51-118-49-47-116-4)59-85(102-87)69-26-22-65(23-27-69)63-106-98(113)80-42-38-76-89-77(39-43-81(91(80)89)99(106)114)95(110)104(94(76)109)45-16-14-12-10-8-6-2/h17-43,58-61H,5-16,44-57,62-63H2,1-4H3
InChIKeySQXBWZQUAPICIF-UHFFFAOYSA-N
MW1642.91 g/mol
LogP17.80
Rot. Bonds44

About 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 102474126) has the molecular formula C99H99N7O16 and a molecular weight of 1642.91 g/mol. Its IUPAC name is 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID102474126
Molecular FormulaC99H99N7O16
Molecular Weight1642.91 g/mol
Exact Mass1641.71
IUPAC Name6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCCCCCCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(Cc1ccc(-c2cc(-c4ccc(OCCOCCOCCOC)cc4)cc(-c4cccc(-c5cc(-c6ccc(OCCOCCOCCOC)cc6)cc(-c6ccc(CN7C(=O)c8ccc9c%10c(ccc(c8%10)C7=O)C(=O)N(CCCCCCCC)C9=O)cc6)n5)n4)n2)cc1)C3=O
InChIInChI=1S/C99H99N7O16/c1-5-7-9-11-13-15-44-103-92(107)74-36-40-78-90-79(41-37-75(88(74)90)93(103)108)97(112)105(96(78)111)62-64-20-24-68(25-21-64)84-58-70(66-28-32-72(33-29-66)121-56-54-119-52-50-117-48-46-115-3)60-86(101-84)82-18-17-19-83(100-82)87-61-71(67-30-34-73(35-31-67)122-57-55-120-53-51-118-49-47-116-4)59-85(102-87)69-26-22-65(23-27-69)63-106-98(113)80-42-38-76-89-77(39-43-81(91(80)89)99(106)114)95(110)104(94(76)109)45-16-14-12-10-8-6-2/h17-43,58-61H,5-16,44-57,62-63H2,1-4H3
InChIKeySQXBWZQUAPICIF-UHFFFAOYSA-N
XLogP17.80
TPSA262.03 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.91
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11,22-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-7,18-dioctyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 71814362
6-octyl-13-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101386563
17-octyl-17-azahexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene-16,18-dione
CID 122227193
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
6,13-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 102139603
2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 101476385
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
1,3-bis(4-butoxyphenyl)-5-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]benzene
CID 121286376

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 102474126) is 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is CCCCCCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(Cc1ccc(-c2cc(-c4ccc(OCCOCCOCCOC)cc4)cc(-c4cccc(-c5cc(-c6ccc(OCCOCCOCCOC)cc6)cc(-c6ccc(CN7C(=O)c8ccc9c%10c(ccc(c8%10)C7=O)C(=O)N(CCCCCCCC)C9=O)cc6)n5)n4)n2)cc1)C3=O.
What is the InChIKey of 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is SQXBWZQUAPICIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H99N7O16/c1-5-7-9-11-13-15-44-103-92(107)74-36-40-78-90-79(41-37-75(88(74)90)93(103)108)97(112)105(96(78)111)62-64-20-24-68(25-21-64)84-58-70(66-28-32-72(33-29-66)121-56-54-119-52-50-117-48-46-115-3)60-86(101-84)82-18-17-19-83(100-82)87-61-71(67-30-34-73(35-31-67)122-57-55-120-53-51-118-49-47-116-4)59-85(102-87)69-26-22-65(23-27-69)63-106-98(113)80-42-38-76-89-77(39-43-81(91(80)89)99(106)114)95(110)104(94(76)109)45-16-14-12-10-8-6-2/h17-43,58-61H,5-16,44-57,62-63H2,1-4H3.
What are the key properties of 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 1642.91 g/mol, XLogP of 17.80, 44 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[6-[4-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-6-[4-[(13-octyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)methyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]methyl]-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 102474126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).