4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine

C103H86N2 — CID 126624355

IUPAC4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESC=Cc1ccc(CCCCc2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C54c5ccccc5-c5c(N(c6ccc(-c7ccc(CCCCc8ccc(C=C)cc8)cc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc54)cc3)cc2)cc1
InChIInChI=1S/C103H86N2/c1-7-69-39-43-71(44-40-69)23-9-11-25-73-47-51-75(52-48-73)77-55-59-79(60-56-77)104(81-63-65-85-83-27-13-17-31-89(83)101(3,4)95(85)67-81)97-37-21-35-93-99(97)87-29-15-19-33-91(87)103(93)92-34-20-16-30-88(92)100-94(103)36-22-38-98(100)105(82-64-66-86-84-28-14-18-32-90(84)102(5,6)96(86)68-82)80-61-57-78(58-62-80)76-53-49-74(50-54-76)26-12-10-24-72-45-41-70(8-2)42-46-72/h7-8,13-22,27-68H,1-2,9-12,23-26H2,3-6H3
InChIKeySJOYNMPNMKKQNA-UHFFFAOYSA-N
MW1351.84 g/mol
LogP27.33
Rot. Bonds20

About 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine

4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine (PubChem CID 126624355) has the molecular formula C103H86N2 and a molecular weight of 1351.84 g/mol. Its IUPAC name is 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine.

Molecular Properties

Compound Name4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine
PubChem CID126624355
Molecular FormulaC103H86N2
Molecular Weight1351.84 g/mol
Exact Mass1350.68
IUPAC Name4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine
SMILESC=Cc1ccc(CCCCc2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C54c5ccccc5-c5c(N(c6ccc(-c7ccc(CCCCc8ccc(C=C)cc8)cc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc54)cc3)cc2)cc1
InChIInChI=1S/C103H86N2/c1-7-69-39-43-71(44-40-69)23-9-11-25-73-47-51-75(52-48-73)77-55-59-79(60-56-77)104(81-63-65-85-83-27-13-17-31-89(83)101(3,4)95(85)67-81)97-37-21-35-93-99(97)87-29-15-19-33-91(87)103(93)92-34-20-16-30-88(92)100-94(103)36-22-38-98(100)105(82-64-66-86-84-28-14-18-32-90(84)102(5,6)96(86)68-82)80-61-57-78(58-62-80)76-53-49-74(50-54-76)26-12-10-24-72-45-41-70(8-2)42-46-72/h7-8,13-22,27-68H,1-2,9-12,23-26H2,3-6H3
InChIKeySJOYNMPNMKKQNA-UHFFFAOYSA-N
XLogP27.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.84
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine with MolForge

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Related Compounds

2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 139340690
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146386855
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine?
The IUPAC name of 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine (CID 126624355) is 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine.
What is the SMILES notation for 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine?
The canonical SMILES for 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine is C=Cc1ccc(CCCCc2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C54c5ccccc5-c5c(N(c6ccc(-c7ccc(CCCCc8ccc(C=C)cc8)cc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc54)cc3)cc2)cc1.
What is the InChIKey of 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine?
The InChIKey is SJOYNMPNMKKQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H86N2/c1-7-69-39-43-71(44-40-69)23-9-11-25-73-47-51-75(52-48-73)77-55-59-79(60-56-77)104(81-63-65-85-83-27-13-17-31-89(83)101(3,4)95(85)67-81)97-37-21-35-93-99(97)87-29-15-19-33-91(87)103(93)92-34-20-16-30-88(92)100-94(103)36-22-38-98(100)105(82-64-66-86-84-28-14-18-32-90(84)102(5,6)96(86)68-82)80-61-57-78(58-62-80)76-53-49-74(50-54-76)26-12-10-24-72-45-41-70(8-2)42-46-72/h7-8,13-22,27-68H,1-2,9-12,23-26H2,3-6H3.
What are the key properties of 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine?
4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine has a molecular weight of 1351.84 g/mol, XLogP of 27.33, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N'-bis(9,9-dimethylfluoren-2-yl)-4-N,4-N'-bis[4-[4-[4-(4-ethenylphenyl)butyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-4,4'-diamine is sourced from PubChem (CID 126624355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).