2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]

C63H50 — CID 142521242

IUPAC2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]
SMILESCc1cc(-c2ccccc2)ccc1C(CCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccccc3)c1-2)Cc1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C63H50/c1-41-37-46(44-17-6-4-7-18-44)33-36-48(41)47(38-43-31-34-53-50-21-10-13-25-55(50)62(2,3)59(53)40-43)32-29-42-30-35-54-60(39-42)63(56-26-14-11-22-51(56)52-23-12-15-27-57(52)63)58-28-16-24-49(61(54)58)45-19-8-5-9-20-45/h4-28,30-31,33-37,39-40,47H,29,32,38H2,1-3H3
InChIKeyFWJUFYGDUWLYTO-UHFFFAOYSA-N
MW807.09 g/mol
LogP15.94
Rot. Bonds8

About 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]

2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene] (PubChem CID 142521242) has the molecular formula C63H50 and a molecular weight of 807.09 g/mol. Its IUPAC name is 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]
PubChem CID142521242
Molecular FormulaC63H50
Molecular Weight807.09 g/mol
Exact Mass806.39
IUPAC Name2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]
SMILESCc1cc(-c2ccccc2)ccc1C(CCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccccc3)c1-2)Cc1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C63H50/c1-41-37-46(44-17-6-4-7-18-44)33-36-48(41)47(38-43-31-34-53-50-21-10-13-25-55(50)62(2,3)59(53)40-43)32-29-42-30-35-54-60(39-42)63(56-26-14-11-22-51(56)52-23-12-15-27-57(52)63)58-28-16-24-49(61(54)58)45-19-8-5-9-20-45/h4-28,30-31,33-37,39-40,47H,29,32,38H2,1-3H3
InChIKeyFWJUFYGDUWLYTO-UHFFFAOYSA-N
XLogP15.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.09
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588670
4-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 145291766
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 140941835
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
CID 142541185

Frequently Asked Questions

What is the IUPAC name of 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene] (CID 142521242) is 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene] is Cc1cc(-c2ccccc2)ccc1C(CCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccccc3)c1-2)Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]?
The InChIKey is FWJUFYGDUWLYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50/c1-41-37-46(44-17-6-4-7-18-44)33-36-48(41)47(38-43-31-34-53-50-21-10-13-25-55(50)62(2,3)59(53)40-43)32-29-42-30-35-54-60(39-42)63(56-26-14-11-22-51(56)52-23-12-15-27-57(52)63)58-28-16-24-49(61(54)58)45-19-8-5-9-20-45/h4-28,30-31,33-37,39-40,47H,29,32,38H2,1-3H3.
What are the key properties of 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]?
2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene] has a molecular weight of 807.09 g/mol, XLogP of 15.94, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 142521242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).