N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C54H43N — CID 163511645

IUPACN-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCCCc1ccc(-c2ccc(N(c3ccc(-c4cc(C)ccc4C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H43N/c1-4-11-38-20-22-39(23-21-38)40-24-28-42(29-25-40)55(43-30-26-41(27-31-43)49-34-36(2)18-19-37(49)3)44-32-33-48-47-14-7-10-17-52(47)54(53(48)35-44)50-15-8-5-12-45(50)46-13-6-9-16-51(46)54/h5-10,12-35H,4,11H2,1-3H3
InChIKeyWMYDXXLLBZNCLF-UHFFFAOYSA-N
MW705.94 g/mol
LogP14.40
Rot. Bonds7

About N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 163511645) has the molecular formula C54H43N and a molecular weight of 705.94 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID163511645
Molecular FormulaC54H43N
Molecular Weight705.94 g/mol
Exact Mass705.34
IUPAC NameN-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCCCc1ccc(-c2ccc(N(c3ccc(-c4cc(C)ccc4C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H43N/c1-4-11-38-20-22-39(23-21-38)40-24-28-42(29-25-40)55(43-30-26-41(27-31-43)49-34-36(2)18-19-37(49)3)44-32-33-48-47-14-7-10-17-52(47)54(53(48)35-44)50-15-8-5-12-45(50)46-13-6-9-16-51(46)54/h5-10,12-35H,4,11H2,1-3H3
InChIKeyWMYDXXLLBZNCLF-UHFFFAOYSA-N
XLogP14.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.94
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[5-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]-2-methylphenyl]phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 164803659
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 146414854
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)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 121391582
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 163511645) is N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CCCc1ccc(-c2ccc(N(c3ccc(-c4cc(C)ccc4C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is WMYDXXLLBZNCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-4-11-38-20-22-39(23-21-38)40-24-28-42(29-25-40)55(43-30-26-41(27-31-43)49-34-36(2)18-19-37(49)3)44-32-33-48-47-14-7-10-17-52(47)54(53(48)35-44)50-15-8-5-12-45(50)46-13-6-9-16-51(46)54/h5-10,12-35H,4,11H2,1-3H3.
What are the key properties of N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 705.94 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 163511645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).