2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene

C171H134 — CID 58881238

IUPAC2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)cc(-c8cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)c7)ccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C171H134/c1-163(2)145-43-27-19-35-127(145)135-61-51-99(89-153(135)163)109-71-110(100-52-62-136-128-36-20-28-44-146(128)164(3,4)154(136)90-100)76-119(75-109)123-83-117(84-124(87-123)120-77-111(101-53-63-137-129-37-21-29-45-147(129)165(5,6)155(137)91-101)72-112(78-120)102-54-64-138-130-38-22-30-46-148(130)166(7,8)156(138)92-102)107-59-69-143-144-70-60-108(98-162(144)171(17,18)161(143)97-107)118-85-125(121-79-113(103-55-65-139-131-39-23-31-47-149(131)167(9,10)157(139)93-103)73-114(80-121)104-56-66-140-132-40-24-32-48-150(132)168(11,12)158(140)94-104)88-126(86-118)122-81-115(105-57-67-141-133-41-25-33-49-151(133)169(13,14)159(141)95-105)74-116(82-122)106-58-68-142-134-42-26-34-50-152(134)170(15,16)160(142)96-106/h19-98H,1-18H3
InChIKeyCMIVVVXKYIYOPV-UHFFFAOYSA-N
MW2188.95 g/mol
LogP45.78
Rot. Bonds14

About 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene

2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene (PubChem CID 58881238) has the molecular formula C171H134 and a molecular weight of 2188.95 g/mol. Its IUPAC name is 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
PubChem CID58881238
Molecular FormulaC171H134
Molecular Weight2188.95 g/mol
Exact Mass2187.05
IUPAC Name2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)cc(-c8cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)c7)ccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C171H134/c1-163(2)145-43-27-19-35-127(145)135-61-51-99(89-153(135)163)109-71-110(100-52-62-136-128-36-20-28-44-146(128)164(3,4)154(136)90-100)76-119(75-109)123-83-117(84-124(87-123)120-77-111(101-53-63-137-129-37-21-29-45-147(129)165(5,6)155(137)91-101)72-112(78-120)102-54-64-138-130-38-22-30-46-148(130)166(7,8)156(138)92-102)107-59-69-143-144-70-60-108(98-162(144)171(17,18)161(143)97-107)118-85-125(121-79-113(103-55-65-139-131-39-23-31-47-149(131)167(9,10)157(139)93-103)73-114(80-121)104-56-66-140-132-40-24-32-48-150(132)168(11,12)158(140)94-104)88-126(86-118)122-81-115(105-57-67-141-133-41-25-33-49-151(133)169(13,14)159(141)95-105)74-116(82-122)106-58-68-142-134-42-26-34-50-152(134)170(15,16)160(142)96-106/h19-98H,1-18H3
InChIKeyCMIVVVXKYIYOPV-UHFFFAOYSA-N
XLogP45.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002188.95
LogP ≤ 545.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene with MolForge

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Related Compounds

2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
CID 143619792
CID 143619792
CID 140720702
CID 140720702
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene?
The IUPAC name of 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene (CID 58881238) is 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)cc(-c8cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8)c7)ccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.
What is the InChIKey of 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene?
The InChIKey is CMIVVVXKYIYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C171H134/c1-163(2)145-43-27-19-35-127(145)135-61-51-99(89-153(135)163)109-71-110(100-52-62-136-128-36-20-28-44-146(128)164(3,4)154(136)90-100)76-119(75-109)123-83-117(84-124(87-123)120-77-111(101-53-63-137-129-37-21-29-45-147(129)165(5,6)155(137)91-101)72-112(78-120)102-54-64-138-130-38-22-30-46-148(130)166(7,8)156(138)92-102)107-59-69-143-144-70-60-108(98-162(144)171(17,18)161(143)97-107)118-85-125(121-79-113(103-55-65-139-131-39-23-31-47-149(131)167(9,10)157(139)93-103)73-114(80-121)104-56-66-140-132-40-24-32-48-150(132)168(11,12)158(140)94-104)88-126(86-118)122-81-115(105-57-67-141-133-41-25-33-49-151(133)169(13,14)159(141)95-105)74-116(82-122)106-58-68-142-134-42-26-34-50-152(134)170(15,16)160(142)96-106/h19-98H,1-18H3.
What are the key properties of 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene?
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene has a molecular weight of 2188.95 g/mol, XLogP of 45.78, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 58881238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).