N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C64H45N — CID 168750038

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C64H45N/c1-63(2)56-27-13-9-22-50(56)54-37-36-49(41-60(54)63)65(48-34-32-44(33-35-48)47-39-45(42-18-5-3-6-19-42)38-46(40-47)43-20-7-4-8-21-43)61-31-17-26-55-53-25-12-16-30-59(53)64(62(55)61)57-28-14-10-23-51(57)52-24-11-15-29-58(52)64/h3-41H,1-2H3
InChIKeyFBZXUGIALKOTQQ-UHFFFAOYSA-N
MW828.07 g/mol
LogP16.81
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 168750038) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID168750038
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C64H45N/c1-63(2)56-27-13-9-22-50(56)54-37-36-49(41-60(54)63)65(48-34-32-44(33-35-48)47-39-45(42-18-5-3-6-19-42)38-46(40-47)43-20-7-4-8-21-43)61-31-17-26-55-53-25-12-16-30-59(53)64(62(55)61)57-28-14-10-23-51(57)52-24-11-15-29-58(52)64/h3-41H,1-2H3
InChIKeyFBZXUGIALKOTQQ-UHFFFAOYSA-N
XLogP16.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine
CID 130379433
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane
CID 159092939
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
CID 146333787
N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 122493630

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 168750038) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is FBZXUGIALKOTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-63(2)56-27-13-9-22-50(56)54-37-36-49(41-60(54)63)65(48-34-32-44(33-35-48)47-39-45(42-18-5-3-6-19-42)38-46(40-47)43-20-7-4-8-21-43)61-31-17-26-55-53-25-12-16-30-59(53)64(62(55)61)57-28-14-10-23-51(57)52-24-11-15-29-58(52)64/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 828.07 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 168750038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).