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

C81H57N — CID 165165116

IUPACN-[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
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc(C6CC7CCC6C7)cc5)cc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C81H57N/c1-7-19-72-63(13-1)64-14-2-8-20-73(64)80(72)77-24-12-6-18-68(77)71-50-62(44-46-78(71)80)82(60-40-35-55(36-41-60)53-29-27-52(28-30-53)54-31-33-57(34-32-54)70-48-51-25-26-59(70)47-51)61-42-37-56(38-43-61)58-39-45-69-67-17-5-11-23-76(67)81(79(69)49-58)74-21-9-3-15-65(74)66-16-4-10-22-75(66)81/h1-24,27-46,49-51,59,70H,25-26,47-48H2
InChIKeyIRXROHIFRHIAJP-UHFFFAOYSA-N
MW1044.35 g/mol
LogP20.75
Rot. Bonds7

About 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

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 (PubChem CID 165165116) has the molecular formula C81H57N and a molecular weight of 1044.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID165165116
Molecular FormulaC81H57N
Molecular Weight1044.35 g/mol
Exact Mass1043.45
IUPAC NameN-[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
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc(C6CC7CCC6C7)cc5)cc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C81H57N/c1-7-19-72-63(13-1)64-14-2-8-20-73(64)80(72)77-24-12-6-18-68(77)71-50-62(44-46-78(71)80)82(60-40-35-55(36-41-60)53-29-27-52(28-30-53)54-31-33-57(34-32-54)70-48-51-25-26-59(70)47-51)61-42-37-56(38-43-61)58-39-45-69-67-17-5-11-23-76(67)81(79(69)49-58)74-21-9-3-15-65(74)66-16-4-10-22-75(66)81/h1-24,27-46,49-51,59,70H,25-26,47-48H2
InChIKeyIRXROHIFRHIAJP-UHFFFAOYSA-N
XLogP20.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.35
LogP ≤ 520.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 165165088
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
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]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738973
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738962
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738754
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc(C6CC7CCC6C7)cc5)cc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc21.
What is the InChIKey of 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?
The InChIKey is IRXROHIFRHIAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57N/c1-7-19-72-63(13-1)64-14-2-8-20-73(64)80(72)77-24-12-6-18-68(77)71-50-62(44-46-78(71)80)82(60-40-35-55(36-41-60)53-29-27-52(28-30-53)54-31-33-57(34-32-54)70-48-51-25-26-59(70)47-51)61-42-37-56(38-43-61)58-39-45-69-67-17-5-11-23-76(67)81(79(69)49-58)74-21-9-3-15-65(74)66-16-4-10-22-75(66)81/h1-24,27-46,49-51,59,70H,25-26,47-48H2.
What are the key properties of 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?
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 has a molecular weight of 1044.35 g/mol, XLogP of 20.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165165116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).