N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C64H44N2 — CID 121358323

IUPACN-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c21
InChIInChI=1S/C64H44N2/c1-63(2)51-28-11-6-23-47(51)48-27-17-36-59(62(48)63)66(43-39-37-41(38-40-43)44-26-16-34-57-60(44)50-25-10-15-33-56(50)65(57)42-19-4-3-5-20-42)58-35-18-32-55-61(58)49-24-9-14-31-54(49)64(55)52-29-12-7-21-45(52)46-22-8-13-30-53(46)64/h3-40H,1-2H3
InChIKeyLKOJZZOGPRNBOC-UHFFFAOYSA-N
MW841.07 g/mol
LogP16.57
Rot. Bonds5

About N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 121358323) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID121358323
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c21
InChIInChI=1S/C64H44N2/c1-63(2)51-28-11-6-23-47(51)48-27-17-36-59(62(48)63)66(43-39-37-41(38-40-43)44-26-16-34-57-60(44)50-25-10-15-33-56(50)65(57)42-19-4-3-5-20-42)58-35-18-32-55-61(58)49-24-9-14-31-54(49)64(55)52-29-12-7-21-45(52)46-22-8-13-30-53(46)64/h3-40H,1-2H3
InChIKeyLKOJZZOGPRNBOC-UHFFFAOYSA-N
XLogP16.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358604
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 158020645
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358609
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358469
N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 121358497
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]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-amine
CID 121391796
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine
CID 121358602
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 121358635

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 121358323) is N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is LKOJZZOGPRNBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-63(2)51-28-11-6-23-47(51)48-27-17-36-59(62(48)63)66(43-39-37-41(38-40-43)44-26-16-34-57-60(44)50-25-10-15-33-56(50)65(57)42-19-4-3-5-20-42)58-35-18-32-55-61(58)49-24-9-14-31-54(49)64(55)52-29-12-7-21-45(52)46-22-8-13-30-53(46)64/h3-40H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 841.07 g/mol, XLogP of 16.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 121358323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).