2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole

C90H109NO2 — CID 123585923

IUPAC2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole
SMILESCCCCCCCCC(CCCCCCCC)n1c2cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C(C)(C)c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6cc(CC)ccc6-7)c6c(OC)ccc(OC)c56)ccc3-4)ccc2c2ccc(C(C)(C)C(C)(C)C)cc21
InChIInChI=1S/C90H109NO2/c1-19-22-24-26-28-30-34-64(35-31-29-27-25-23-20-2)91-77-55-60(40-47-69(77)70-49-43-63(57-78(70)91)88(11,12)85(4,5)6)59-39-45-66-68-48-42-62(56-76(68)87(9,10)74(66)53-59)89(13,14)90(15,16)84-72-37-33-32-36-71(72)81(82-79(92-17)50-51-80(93-18)83(82)84)61-41-46-67-65-44-38-58(21-3)52-73(65)86(7,8)75(67)54-61/h32-33,36-57,64H,19-31,34-35H2,1-18H3
InChIKeyNJNAPTMXUUEWME-UHFFFAOYSA-N
MW1236.87 g/mol
LogP26.25
Rot. Bonds24

About 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole

2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole (PubChem CID 123585923) has the molecular formula C90H109NO2 and a molecular weight of 1236.87 g/mol. Its IUPAC name is 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole.

Molecular Properties

Compound Name2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole
PubChem CID123585923
Molecular FormulaC90H109NO2
Molecular Weight1236.87 g/mol
Exact Mass1235.85
IUPAC Name2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole
SMILESCCCCCCCCC(CCCCCCCC)n1c2cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C(C)(C)c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6cc(CC)ccc6-7)c6c(OC)ccc(OC)c56)ccc3-4)ccc2c2ccc(C(C)(C)C(C)(C)C)cc21
InChIInChI=1S/C90H109NO2/c1-19-22-24-26-28-30-34-64(35-31-29-27-25-23-20-2)91-77-55-60(40-47-69(77)70-49-43-63(57-78(70)91)88(11,12)85(4,5)6)59-39-45-66-68-48-42-62(56-76(68)87(9,10)74(66)53-59)89(13,14)90(15,16)84-72-37-33-32-36-71(72)81(82-79(92-17)50-51-80(93-18)83(82)84)61-41-46-67-65-44-38-58(21-3)52-73(65)86(7,8)75(67)54-61/h32-33,36-57,64H,19-31,34-35H2,1-18H3
InChIKeyNJNAPTMXUUEWME-UHFFFAOYSA-N
XLogP26.25
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001236.87
LogP ≤ 526.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
The IUPAC name of 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole (CID 123585923) is 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole.
What is the SMILES notation for 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
The canonical SMILES for 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole is CCCCCCCCC(CCCCCCCC)n1c2cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C(C)(C)c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6cc(CC)ccc6-7)c6c(OC)ccc(OC)c56)ccc3-4)ccc2c2ccc(C(C)(C)C(C)(C)C)cc21.
What is the InChIKey of 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
The InChIKey is NJNAPTMXUUEWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H109NO2/c1-19-22-24-26-28-30-34-64(35-31-29-27-25-23-20-2)91-77-55-60(40-47-69(77)70-49-43-63(57-78(70)91)88(11,12)85(4,5)6)59-39-45-66-68-48-42-62(56-76(68)87(9,10)74(66)53-59)89(13,14)90(15,16)84-72-37-33-32-36-71(72)81(82-79(92-17)50-51-80(93-18)83(82)84)61-41-46-67-65-44-38-58(21-3)52-73(65)86(7,8)75(67)54-61/h32-33,36-57,64H,19-31,34-35H2,1-18H3.
What are the key properties of 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole has a molecular weight of 1236.87 g/mol, XLogP of 26.25, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-[10-(7-ethyl-9,9-dimethylfluoren-2-yl)-1,4-dimethoxyanthracen-9-yl]-2,3-dimethylbutan-2-yl]-9,9-dimethylfluoren-2-yl]-9-heptadecan-9-yl-7-(2,3,3-trimethylbutan-2-yl)carbazole is sourced from PubChem (CID 123585923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).