5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline

C163H146FN — CID 59512936

IUPAC5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cc(-c6cc(F)cc(-c7nccc8c(-c9cc(-c%10ccc%11c(c%10)C(CC)(CC)c%10cc(-c%12ccc%13c(c%12)C(CC)(CC)c%12ccccc%12-%13)ccc%10-%11)cc(-c%10ccc%11c(c%10)C(CC)(CC)c%10cc(-c%12ccc%13c(c%12)C(CC)(CC)c%12ccccc%12-%13)ccc%10-%11)c9)cccc78)c6)cc(-c6ccc7c(c6)C(CC)(CC)c6cc(-c8ccc9c(c8)C(CC)(CC)c8ccccc8-9)ccc6-7)c5)ccc3-4)cc21
InChIInChI=1S/C163H146FN/c1-17-156(18-2)139-48-37-33-42-122(139)126-64-52-99(87-143(126)156)103-56-68-130-134-72-60-107(95-151(134)160(25-9,26-10)147(130)91-103)111-78-112(108-61-73-135-131-69-57-104(92-148(131)161(27-11,28-12)152(135)96-108)100-53-65-127-123-43-34-38-49-140(123)157(19-3,20-4)144(127)88-100)81-115(80-111)116-84-118(86-119(164)85-116)155-138-47-41-46-120(121(138)76-77-165-155)117-82-113(109-62-74-136-132-70-58-105(93-149(132)162(29-13,30-14)153(136)97-109)101-54-66-128-124-44-35-39-50-141(124)158(21-5,22-6)145(128)89-101)79-114(83-117)110-63-75-137-133-71-59-106(94-150(133)163(31-15,32-16)154(137)98-110)102-55-67-129-125-45-36-40-51-142(125)159(23-7,24-8)146(129)90-102/h33-98H,17-32H2,1-16H3
InChIKeyLTIIFOAVLXEGCN-UHFFFAOYSA-N
MW2137.97 g/mol
LogP45.40
Rot. Bonds27

About 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline

5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline (PubChem CID 59512936) has the molecular formula C163H146FN and a molecular weight of 2137.97 g/mol. Its IUPAC name is 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline.

Molecular Properties

Compound Name5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline
PubChem CID59512936
Molecular FormulaC163H146FN
Molecular Weight2137.97 g/mol
Exact Mass2136.14
IUPAC Name5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cc(-c6cc(F)cc(-c7nccc8c(-c9cc(-c%10ccc%11c(c%10)C(CC)(CC)c%10cc(-c%12ccc%13c(c%12)C(CC)(CC)c%12ccccc%12-%13)ccc%10-%11)cc(-c%10ccc%11c(c%10)C(CC)(CC)c%10cc(-c%12ccc%13c(c%12)C(CC)(CC)c%12ccccc%12-%13)ccc%10-%11)c9)cccc78)c6)cc(-c6ccc7c(c6)C(CC)(CC)c6cc(-c8ccc9c(c8)C(CC)(CC)c8ccccc8-9)ccc6-7)c5)ccc3-4)cc21
InChIInChI=1S/C163H146FN/c1-17-156(18-2)139-48-37-33-42-122(139)126-64-52-99(87-143(126)156)103-56-68-130-134-72-60-107(95-151(134)160(25-9,26-10)147(130)91-103)111-78-112(108-61-73-135-131-69-57-104(92-148(131)161(27-11,28-12)152(135)96-108)100-53-65-127-123-43-34-38-49-140(123)157(19-3,20-4)144(127)88-100)81-115(80-111)116-84-118(86-119(164)85-116)155-138-47-41-46-120(121(138)76-77-165-155)117-82-113(109-62-74-136-132-70-58-105(93-149(132)162(29-13,30-14)153(136)97-109)101-54-66-128-124-44-35-39-50-141(124)158(21-5,22-6)145(128)89-101)79-114(83-117)110-63-75-137-133-71-59-106(94-150(133)163(31-15,32-16)154(137)98-110)102-55-67-129-125-45-36-40-51-142(125)159(23-7,24-8)146(129)90-102/h33-98H,17-32H2,1-16H3
InChIKeyLTIIFOAVLXEGCN-UHFFFAOYSA-N
XLogP45.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002137.97
LogP ≤ 545.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline 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

JH-VIII-49
CID 133081964
(3S,8S,9S,10R,13S,14S,17S)-17-isoquinolin-7-yl-N,N,10,13-tetramethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 145954767
(3S,5S,8R,9S,10S,13S,14S,17S)-17-isoquinolin-7-yl-N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 145958492
(3R,5S,8R,9S,10S,13S,14S,17S)-17-isoquinolin-7-yl-N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 145959610
4-[(Z)-[(1S,3aS,7aS)-1-isoquinolin-7-yl-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]methyl]-N,N-dimethylcyclohex-3-en-1-amine
CID 66559391
4-[(Z)-[(1S,3aS,7aS)-1-isoquinolin-7-yl-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]methyl]-N,N-dimethylaniline
CID 66559392
1-(9,9-Dimethyl-9H-fluoren-2-yl)isoquinoline
CID 17859883
1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline
CID 134951071
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
3-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)isoquinoline
CID 155908903
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
2-(4,4'-Di-tert-butyl-6'-(5-fluoropyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908927

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline?
The IUPAC name of 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline (CID 59512936) is 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline.
What is the SMILES notation for 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline?
The canonical SMILES for 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline is CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cc(-c6cc(F)cc(-c7nccc8c(-c9cc(-c%10ccc%11c(c%10)C(CC)(CC)c%10cc(-c%12ccc%13c(c%12)C(CC)(CC)c%12ccccc%12-%13)ccc%10-%11)cc(-c%10ccc%11c(c%10)C(CC)(CC)c%10cc(-c%12ccc%13c(c%12)C(CC)(CC)c%12ccccc%12-%13)ccc%10-%11)c9)cccc78)c6)cc(-c6ccc7c(c6)C(CC)(CC)c6cc(-c8ccc9c(c8)C(CC)(CC)c8ccccc8-9)ccc6-7)c5)ccc3-4)cc21.
What is the InChIKey of 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline?
The InChIKey is LTIIFOAVLXEGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C163H146FN/c1-17-156(18-2)139-48-37-33-42-122(139)126-64-52-99(87-143(126)156)103-56-68-130-134-72-60-107(95-151(134)160(25-9,26-10)147(130)91-103)111-78-112(108-61-73-135-131-69-57-104(92-148(131)161(27-11,28-12)152(135)96-108)100-53-65-127-123-43-34-38-49-140(123)157(19-3,20-4)144(127)88-100)81-115(80-111)116-84-118(86-119(164)85-116)155-138-47-41-46-120(121(138)76-77-165-155)117-82-113(109-62-74-136-132-70-58-105(93-149(132)162(29-13,30-14)153(136)97-109)101-54-66-128-124-44-35-39-50-141(124)158(21-5,22-6)145(128)89-101)79-114(83-117)110-63-75-137-133-71-59-106(94-150(133)163(31-15,32-16)154(137)98-110)102-55-67-129-125-45-36-40-51-142(125)159(23-7,24-8)146(129)90-102/h33-98H,17-32H2,1-16H3.
What are the key properties of 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline?
5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline has a molecular weight of 2137.97 g/mol, XLogP of 45.40, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-1-[3-[3,5-bis[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-5-fluorophenyl]isoquinoline is sourced from PubChem (CID 59512936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).