2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole

C112H153N — CID 123341362

IUPAC2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3c4ccccc4c(C(CC)(CC)C(C)(C)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc7c8ccc(C(C)(C)C(C)(C)C)cc8n(CCCCCC)c7c6)ccc4-5)c4ccccc34)ccc2-c2ccc(C(C)(C)C(C)(C)C)cc21
InChIInChI=1S/C112H153N/c1-20-27-32-37-41-49-70-110(71-50-42-38-33-28-21-2)97-75-81(82-59-66-91-92-69-63-86(108(16,17)106(11,12)13)80-102(92)113(101(91)77-82)74-53-36-31-24-5)58-64-87(97)90-68-62-85(79-100(90)110)109(18,19)112(25-6,26-7)104-95-56-47-45-54-93(95)103(94-55-46-48-57-96(94)104)83-60-65-88-89-67-61-84(107(14,15)105(8,9)10)78-99(89)111(98(88)76-83,72-51-43-39-34-29-22-3)73-52-44-40-35-30-23-4/h45-48,54-69,75-80H,20-44,49-53,70-74H2,1-19H3
InChIKeyHHMRDCBSLXMFJX-UHFFFAOYSA-N
MW1513.46 g/mol
LogP35.23
Rot. Bonds42

About 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole

2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole (PubChem CID 123341362) has the molecular formula C112H153N and a molecular weight of 1513.46 g/mol. Its IUPAC name is 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole.

Molecular Properties

Compound Name2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole
PubChem CID123341362
Molecular FormulaC112H153N
Molecular Weight1513.46 g/mol
Exact Mass1512.20
IUPAC Name2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3c4ccccc4c(C(CC)(CC)C(C)(C)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc7c8ccc(C(C)(C)C(C)(C)C)cc8n(CCCCCC)c7c6)ccc4-5)c4ccccc34)ccc2-c2ccc(C(C)(C)C(C)(C)C)cc21
InChIInChI=1S/C112H153N/c1-20-27-32-37-41-49-70-110(71-50-42-38-33-28-21-2)97-75-81(82-59-66-91-92-69-63-86(108(16,17)106(11,12)13)80-102(92)113(101(91)77-82)74-53-36-31-24-5)58-64-87(97)90-68-62-85(79-100(90)110)109(18,19)112(25-6,26-7)104-95-56-47-45-54-93(95)103(94-55-46-48-57-96(94)104)83-60-65-88-89-67-61-84(107(14,15)105(8,9)10)78-99(89)111(98(88)76-83,72-51-43-39-34-29-22-3)73-52-44-40-35-30-23-4/h45-48,54-69,75-80H,20-44,49-53,70-74H2,1-19H3
InChIKeyHHMRDCBSLXMFJX-UHFFFAOYSA-N
XLogP35.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds42
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001513.46
LogP ≤ 535.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole with MolForge

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Related Compounds

methane;2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)-9-octylcarbazole
CID 158208152
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
5,5,15,25,25-pentahexyl-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
CID 102171788
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
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole
CID 102527375
9-[5-[7-(5-carbazol-9-ylthiophen-2-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]carbazole
CID 102154441
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole
CID 174775748
2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 143498644
3-(4-tert-butylphenyl)-5-[4-[7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 101482227

Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
The IUPAC name of 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole (CID 123341362) is 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole.
What is the SMILES notation for 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
The canonical SMILES for 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole is CCCCCCCCC1(CCCCCCCC)c2cc(-c3c4ccccc4c(C(CC)(CC)C(C)(C)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc7c8ccc(C(C)(C)C(C)(C)C)cc8n(CCCCCC)c7c6)ccc4-5)c4ccccc34)ccc2-c2ccc(C(C)(C)C(C)(C)C)cc21.
What is the InChIKey of 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
The InChIKey is HHMRDCBSLXMFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H153N/c1-20-27-32-37-41-49-70-110(71-50-42-38-33-28-21-2)97-75-81(82-59-66-91-92-69-63-86(108(16,17)106(11,12)13)80-102(92)113(101(91)77-82)74-53-36-31-24-5)58-64-87(97)90-68-62-85(79-100(90)110)109(18,19)112(25-6,26-7)104-95-56-47-45-54-93(95)103(94-55-46-48-57-96(94)104)83-60-65-88-89-67-61-84(107(14,15)105(8,9)10)78-99(89)111(98(88)76-83,72-51-43-39-34-29-22-3)73-52-44-40-35-30-23-4/h45-48,54-69,75-80H,20-44,49-53,70-74H2,1-19H3.
What are the key properties of 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole?
2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole has a molecular weight of 1513.46 g/mol, XLogP of 35.23, 42 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-[10-[9,9-dioctyl-7-(2,3,3-trimethylbutan-2-yl)fluoren-2-yl]anthracen-9-yl]-3-ethyl-2-methylpentan-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-(2,3,3-trimethylbutan-2-yl)carbazole is sourced from PubChem (CID 123341362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).