9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene

C149H142 — CID 102318982

IUPAC9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene
SMILESCCCCCCCC1(CCCCCCC)c2cc(C#Cc3c4ccccc4cc4ccccc34)ccc2-c2ccc(C#Cc3c4ccccc4c(C#Cc4ccc5c(c4)C(CCCCCCC)(CCCCCCC)c4cc(C#Cc6c7ccccc7c(C#Cc7ccc8c(c7)C(CCCCCCC)(CCCCCCC)c7cc(C#Cc9c%10ccccc%10cc%10ccccc9%10)ccc7-8)c7ccccc67)ccc4-5)c4ccccc34)cc21
InChIInChI=1S/C149H142/c1-7-13-19-25-47-93-147(94-48-26-20-14-8-2)141-99-107(69-81-129-117-57-35-31-53-113(117)105-114-54-32-36-58-118(114)129)75-87-135(141)137-89-77-109(101-143(137)147)71-83-131-121-61-39-43-65-125(121)133(126-66-44-40-62-122(126)131)85-73-111-79-91-139-140-92-80-112(104-146(140)149(145(139)103-111,97-51-29-23-17-11-5)98-52-30-24-18-12-6)74-86-134-127-67-45-41-63-123(127)132(124-64-42-46-68-128(124)134)84-72-110-78-90-138-136-88-76-108(70-82-130-119-59-37-33-55-115(119)106-116-56-34-38-60-120(116)130)100-142(136)148(144(138)102-110,95-49-27-21-15-9-3)96-50-28-22-16-10-4/h31-46,53-68,75-80,87-92,99-106H,7-30,47-52,93-98H2,1-6H3
InChIKeyQJDKFRYTFKPMCQ-UHFFFAOYSA-N
MW1932.77 g/mol
LogP40.27
Rot. Bonds36

About 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene

9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene (PubChem CID 102318982) has the molecular formula C149H142 and a molecular weight of 1932.77 g/mol. Its IUPAC name is 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene.

Molecular Properties

Compound Name9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene
PubChem CID102318982
Molecular FormulaC149H142
Molecular Weight1932.77 g/mol
Exact Mass1931.11
IUPAC Name9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene
SMILESCCCCCCCC1(CCCCCCC)c2cc(C#Cc3c4ccccc4cc4ccccc34)ccc2-c2ccc(C#Cc3c4ccccc4c(C#Cc4ccc5c(c4)C(CCCCCCC)(CCCCCCC)c4cc(C#Cc6c7ccccc7c(C#Cc7ccc8c(c7)C(CCCCCCC)(CCCCCCC)c7cc(C#Cc9c%10ccccc%10cc%10ccccc9%10)ccc7-8)c7ccccc67)ccc4-5)c4ccccc34)cc21
InChIInChI=1S/C149H142/c1-7-13-19-25-47-93-147(94-48-26-20-14-8-2)141-99-107(69-81-129-117-57-35-31-53-113(117)105-114-54-32-36-58-118(114)129)75-87-135(141)137-89-77-109(101-143(137)147)71-83-131-121-61-39-43-65-125(121)133(126-66-44-40-62-122(126)131)85-73-111-79-91-139-140-92-80-112(104-146(140)149(145(139)103-111,97-51-29-23-17-11-5)98-52-30-24-18-12-6)74-86-134-127-67-45-41-63-123(127)132(124-64-42-46-68-128(124)134)84-72-110-78-90-138-136-88-76-108(70-82-130-119-59-37-33-55-115(119)106-116-56-34-38-60-120(116)130)100-142(136)148(144(138)102-110,95-49-27-21-15-9-3)96-50-28-22-16-10-4/h31-46,53-68,75-80,87-92,99-106H,7-30,47-52,93-98H2,1-6H3
InChIKeyQJDKFRYTFKPMCQ-UHFFFAOYSA-N
XLogP40.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001932.77
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene with MolForge

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Related Compounds

9-[7-[2-[9,9-dibutyl-7-[2-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)ethynyl]fluoren-2-yl]ethynyl]-9,9-dihexylfluoren-2-yl]carbazole
CID 122203380
1-[2-[7-[2-[7-[2-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]pyrene
CID 23656651
2,7-bis[2-(4-ethynylphenyl)ethynyl]-9,9-dihexylfluorene
CID 101259666
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
2-(9,9-dihexadecylfluoren-2-yl)ethynyl-methylmercury
CID 177426764
2,7-bis(buta-1,3-diynyl)-9,9-dihexylfluorene
CID 86231954
2-ethynyl-9,9-dioctylfluorene
CID 18442166
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2-[4-[4-[2-[7-[2-(7-ethynyl-9,9-dihexylfluoren-2-yl)ethynyl]-9,9-dihexylfluoren-2-yl]ethynyl]phenyl]phenyl]ethynyl-trimethylsilane
CID 23730790
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526

Frequently Asked Questions

What is the IUPAC name of 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene?
The IUPAC name of 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene (CID 102318982) is 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene.
What is the SMILES notation for 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene?
The canonical SMILES for 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene is CCCCCCCC1(CCCCCCC)c2cc(C#Cc3c4ccccc4cc4ccccc34)ccc2-c2ccc(C#Cc3c4ccccc4c(C#Cc4ccc5c(c4)C(CCCCCCC)(CCCCCCC)c4cc(C#Cc6c7ccccc7c(C#Cc7ccc8c(c7)C(CCCCCCC)(CCCCCCC)c7cc(C#Cc9c%10ccccc%10cc%10ccccc9%10)ccc7-8)c7ccccc67)ccc4-5)c4ccccc34)cc21.
What is the InChIKey of 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene?
The InChIKey is QJDKFRYTFKPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H142/c1-7-13-19-25-47-93-147(94-48-26-20-14-8-2)141-99-107(69-81-129-117-57-35-31-53-113(117)105-114-54-32-36-58-118(114)129)75-87-135(141)137-89-77-109(101-143(137)147)71-83-131-121-61-39-43-65-125(121)133(126-66-44-40-62-122(126)131)85-73-111-79-91-139-140-92-80-112(104-146(140)149(145(139)103-111,97-51-29-23-17-11-5)98-52-30-24-18-12-6)74-86-134-127-67-45-41-63-123(127)132(124-64-42-46-68-128(124)134)84-72-110-78-90-138-136-88-76-108(70-82-130-119-59-37-33-55-115(119)106-116-56-34-38-60-120(116)130)100-142(136)148(144(138)102-110,95-49-27-21-15-9-3)96-50-28-22-16-10-4/h31-46,53-68,75-80,87-92,99-106H,7-30,47-52,93-98H2,1-6H3.
What are the key properties of 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene?
9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene has a molecular weight of 1932.77 g/mol, XLogP of 40.27, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene is sourced from PubChem (CID 102318982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).