N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C64H45N — CID 118298477

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1C
InChIInChI=1S/C64H45N/c1-42-19-9-10-24-49(42)50-36-33-46(39-43(50)2)65(47-34-37-55-53-27-11-15-29-57(53)63(61(55)40-47,44-20-5-3-6-21-44)45-22-7-4-8-23-45)48-35-38-56-54-28-14-18-32-60(54)64(62(56)41-48)58-30-16-12-25-51(58)52-26-13-17-31-59(52)64/h3-41H,1-2H3
InChIKeyQJRYZEAJEPIAJK-UHFFFAOYSA-N
MW828.07 g/mol
LogP16.15
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118298477) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID118298477
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1C
InChIInChI=1S/C64H45N/c1-42-19-9-10-24-49(42)50-36-33-46(39-43(50)2)65(47-34-37-55-53-27-11-15-29-57(53)63(61(55)40-47,44-20-5-3-6-21-44)45-22-7-4-8-23-45)48-35-38-56-54-28-14-18-32-60(54)64(62(56)41-48)58-30-16-12-25-51(58)52-26-13-17-31-59(52)64/h3-41H,1-2H3
InChIKeyQJRYZEAJEPIAJK-UHFFFAOYSA-N
XLogP16.15
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 ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
ethane;3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025123
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807476
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262272
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 118298477) is N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is Cc1ccccc1-c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1C.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is QJRYZEAJEPIAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-42-19-9-10-24-49(42)50-36-33-46(39-43(50)2)65(47-34-37-55-53-27-11-15-29-57(53)63(61(55)40-47,44-20-5-3-6-21-44)45-22-7-4-8-23-45)48-35-38-56-54-28-14-18-32-60(54)64(62(56)41-48)58-30-16-12-25-51(58)52-26-13-17-31-59(52)64/h3-41H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 828.07 g/mol, XLogP of 16.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118298477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).