3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine

C77H60N2 — CID 168791831

IUPAC3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3c(-c4ccc(C5CC6CCC5C6)cc4)ccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc(-c3ccccc3)c4N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C77H60N2/c1-76(2)66-32-18-15-29-61(66)65-49-58(41-44-67(65)76)79(57-27-13-6-14-28-57)75-60(52-37-39-53(40-38-52)64-48-50-35-36-54(64)47-50)43-46-71-73(75)63-31-17-20-34-69(63)77(71)68-33-19-16-30-62(68)72-70(77)45-42-59(51-21-7-3-8-22-51)74(72)78(55-23-9-4-10-24-55)56-25-11-5-12-26-56/h3-34,37-46,49-50,54,64H,35-36,47-48H2,1-2H3
InChIKeyWIOSGLFFWMIQNG-UHFFFAOYSA-N
MW1013.34 g/mol
LogP20.51
Rot. Bonds9

About 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine

3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine (PubChem CID 168791831) has the molecular formula C77H60N2 and a molecular weight of 1013.34 g/mol. Its IUPAC name is 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine.

Molecular Properties

Compound Name3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine
PubChem CID168791831
Molecular FormulaC77H60N2
Molecular Weight1013.34 g/mol
Exact Mass1012.48
IUPAC Name3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3c(-c4ccc(C5CC6CCC5C6)cc4)ccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc(-c3ccccc3)c4N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C77H60N2/c1-76(2)66-32-18-15-29-61(66)65-49-58(41-44-67(65)76)79(57-27-13-6-14-28-57)75-60(52-37-39-53(40-38-52)64-48-50-35-36-54(64)47-50)43-46-71-73(75)63-31-17-20-34-69(63)77(71)68-33-19-16-30-62(68)72-70(77)45-42-59(51-21-7-3-8-22-51)74(72)78(55-23-9-4-10-24-55)56-25-11-5-12-26-56/h3-34,37-46,49-50,54,64H,35-36,47-48H2,1-2H3
InChIKeyWIOSGLFFWMIQNG-UHFFFAOYSA-N
XLogP20.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.34
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine with MolForge

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Related Compounds

N-[4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 165165116
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739015
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438962
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine
CID 168738530
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176187
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4-phenylfluoren-2-amine
CID 168739124
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 165165088
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(4-cyclohexylphenyl)-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168738806
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-phenylfluoren-2-amine
CID 168738478
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
CID 170543143

Frequently Asked Questions

What is the IUPAC name of 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine?
The IUPAC name of 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine (CID 168791831) is 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine.
What is the SMILES notation for 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine?
The canonical SMILES for 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3c(-c4ccc(C5CC6CCC5C6)cc4)ccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc(-c3ccccc3)c4N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine?
The InChIKey is WIOSGLFFWMIQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60N2/c1-76(2)66-32-18-15-29-61(66)65-49-58(41-44-67(65)76)79(57-27-13-6-14-28-57)75-60(52-37-39-53(40-38-52)64-48-50-35-36-54(64)47-50)43-46-71-73(75)63-31-17-20-34-69(63)77(71)68-33-19-16-30-62(68)72-70(77)45-42-59(51-21-7-3-8-22-51)74(72)78(55-23-9-4-10-24-55)56-25-11-5-12-26-56/h3-34,37-46,49-50,54,64H,35-36,47-48H2,1-2H3.
What are the key properties of 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine?
3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine has a molecular weight of 1013.34 g/mol, XLogP of 20.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine is sourced from PubChem (CID 168791831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).