2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]

C156H90 — CID 101469787

IUPAC2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C156H90/c1-19-55-121-97(37-1)98-38-2-20-56-122(98)151(121)133-67-31-13-49-109(133)115-79-73-91(85-139(115)151)145-146(92-74-80-116-110-50-14-32-68-134(110)152(140(116)86-92)123-57-21-3-39-99(123)100-40-4-22-58-124(100)152)148(94-76-82-118-112-52-16-34-70-136(112)154(142(118)88-94)127-61-25-7-43-103(127)104-44-8-26-62-128(104)154)150(96-78-84-120-114-54-18-36-72-138(114)156(144(120)90-96)131-65-29-11-47-107(131)108-48-12-30-66-132(108)156)149(95-77-83-119-113-53-17-35-71-137(113)155(143(119)89-95)129-63-27-9-45-105(129)106-46-10-28-64-130(106)155)147(145)93-75-81-117-111-51-15-33-69-135(111)153(141(117)87-93)125-59-23-5-41-101(125)102-42-6-24-60-126(102)153/h1-90H
InChIKeyMYRQJHZONCOGEQ-UHFFFAOYSA-N
MW1964.44 g/mol
LogP37.75
Rot. Bonds6

About 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]

2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 101469787) has the molecular formula C156H90 and a molecular weight of 1964.44 g/mol. Its IUPAC name is 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID101469787
Molecular FormulaC156H90
Molecular Weight1964.44 g/mol
Exact Mass1962.70
IUPAC Name2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C156H90/c1-19-55-121-97(37-1)98-38-2-20-56-122(98)151(121)133-67-31-13-49-109(133)115-79-73-91(85-139(115)151)145-146(92-74-80-116-110-50-14-32-68-134(110)152(140(116)86-92)123-57-21-3-39-99(123)100-40-4-22-58-124(100)152)148(94-76-82-118-112-52-16-34-70-136(112)154(142(118)88-94)127-61-25-7-43-103(127)104-44-8-26-62-128(104)154)150(96-78-84-120-114-54-18-36-72-138(114)156(144(120)90-96)131-65-29-11-47-107(131)108-48-12-30-66-132(108)156)149(95-77-83-119-113-53-17-35-71-137(113)155(143(119)89-95)129-63-27-9-45-105(129)106-46-10-28-64-130(106)155)147(145)93-75-81-117-111-51-15-33-69-135(111)153(141(117)87-93)125-59-23-5-41-101(125)102-42-6-24-60-126(102)153/h1-90H
InChIKeyMYRQJHZONCOGEQ-UHFFFAOYSA-N
XLogP37.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001964.44
LogP ≤ 537.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
CID 59733842
2,3-bis(9,9'-spirobi[fluorene]-2-yl)aniline
CID 90756938
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
CID 23590230
CID 23590230
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-[9,10-bis(2,3,4,5,6-pentakis-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-9,9'-spirobi[fluorene]
CID 167352769
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 158891851
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene] (CID 101469787) is 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is MYRQJHZONCOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H90/c1-19-55-121-97(37-1)98-38-2-20-56-122(98)151(121)133-67-31-13-49-109(133)115-79-73-91(85-139(115)151)145-146(92-74-80-116-110-50-14-32-68-134(110)152(140(116)86-92)123-57-21-3-39-99(123)100-40-4-22-58-124(100)152)148(94-76-82-118-112-52-16-34-70-136(112)154(142(118)88-94)127-61-25-7-43-103(127)104-44-8-26-62-128(104)154)150(96-78-84-120-114-54-18-36-72-138(114)156(144(120)90-96)131-65-29-11-47-107(131)108-48-12-30-66-132(108)156)149(95-77-83-119-113-53-17-35-71-137(113)155(143(119)89-95)129-63-27-9-45-105(129)106-46-10-28-64-130(106)155)147(145)93-75-81-117-111-51-15-33-69-135(111)153(141(117)87-93)125-59-23-5-41-101(125)102-42-6-24-60-126(102)153/h1-90H.
What are the key properties of 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]?
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 1964.44 g/mol, XLogP of 37.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 101469787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).