2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]

C121H80 — CID 173227728

IUPAC2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2cccc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7ccccc7-c7ccccc7-c7ccccc7)c6)ccc5-4)c4cc(-c5cccc(-c6ccccc6-c6ccccc6-c6ccccc6)c5)ccc4-c4ccc(-c5cccc(-c6ccccc6-c6ccccc6-c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C121H80/c1-5-33-81(34-6-1)97-49-13-21-57-105(97)109-61-25-17-53-101(109)93-45-29-41-85(73-93)89-65-69-113-114-70-66-90(86-42-30-46-94(74-86)102-54-18-26-62-110(102)106-58-22-14-50-98(106)82-35-7-2-8-36-82)78-118(114)121(117(113)77-89)119-79-91(87-43-31-47-95(75-87)103-55-19-27-63-111(103)107-59-23-15-51-99(107)83-37-9-3-10-38-83)67-71-115(119)116-72-68-92(80-120(116)121)88-44-32-48-96(76-88)104-56-20-28-64-112(104)108-60-24-16-52-100(108)84-39-11-4-12-40-84/h1-80H
InChIKeyFXFCVKHMFJRLOV-UHFFFAOYSA-N
MW1533.97 g/mol
LogP32.70
Rot. Bonds16

About 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]

2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 173227728) has the molecular formula C121H80 and a molecular weight of 1533.97 g/mol. Its IUPAC name is 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID173227728
Molecular FormulaC121H80
Molecular Weight1533.97 g/mol
Exact Mass1532.63
IUPAC Name2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2cccc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7ccccc7-c7ccccc7-c7ccccc7)c6)ccc5-4)c4cc(-c5cccc(-c6ccccc6-c6ccccc6-c6ccccc6)c5)ccc4-c4ccc(-c5cccc(-c6ccccc6-c6ccccc6-c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C121H80/c1-5-33-81(34-6-1)97-49-13-21-57-105(97)109-61-25-17-53-101(109)93-45-29-41-85(73-93)89-65-69-113-114-70-66-90(86-42-30-46-94(74-86)102-54-18-26-62-110(102)106-58-22-14-50-98(106)82-35-7-2-8-36-82)78-118(114)121(117(113)77-89)119-79-91(87-43-31-47-95(75-87)103-55-19-27-63-111(103)107-59-23-15-51-99(107)83-37-9-3-10-38-83)67-71-115(119)116-72-68-92(80-120(116)121)88-44-32-48-96(76-88)104-56-20-28-64-112(104)108-60-24-16-52-100(108)84-39-11-4-12-40-84/h1-80H
InChIKeyFXFCVKHMFJRLOV-UHFFFAOYSA-N
XLogP32.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001533.97
LogP ≤ 532.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2,4-diphenyl-6-(3-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)pyrimidine
CID 155123113
1-azulen-1-ylazulene;2-azulen-2-ylazulene;2-azulen-4-ylazulene;methane
CID 162138602
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393

Frequently Asked Questions

What is the IUPAC name of 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] (CID 173227728) is 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2ccccc2-c2ccccc2-c2cccc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7ccccc7-c7ccccc7-c7ccccc7)c6)ccc5-4)c4cc(-c5cccc(-c6ccccc6-c6ccccc6-c6ccccc6)c5)ccc4-c4ccc(-c5cccc(-c6ccccc6-c6ccccc6-c6ccccc6)c5)cc43)c2)cc1.
What is the InChIKey of 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is FXFCVKHMFJRLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H80/c1-5-33-81(34-6-1)97-49-13-21-57-105(97)109-61-25-17-53-101(109)93-45-29-41-85(73-93)89-65-69-113-114-70-66-90(86-42-30-46-94(74-86)102-54-18-26-62-110(102)106-58-22-14-50-98(106)82-35-7-2-8-36-82)78-118(114)121(117(113)77-89)119-79-91(87-43-31-47-95(75-87)103-55-19-27-63-111(103)107-59-23-15-51-99(107)83-37-9-3-10-38-83)67-71-115(119)116-72-68-92(80-120(116)121)88-44-32-48-96(76-88)104-56-20-28-64-112(104)108-60-24-16-52-100(108)84-39-11-4-12-40-84/h1-80H.
What are the key properties of 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 1533.97 g/mol, XLogP of 32.70, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 173227728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).