N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine

C54H45N — CID 166906706

IUPACN-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine
SMILESCc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4C=CC=CC4C4C=CC=CC43C)cc2)cc1
InChIInChI=1S/C54H45N/c1-35-20-22-36(23-21-35)37-24-26-38(27-25-37)55(39-28-30-43-41-13-5-8-16-46(41)52(2,3)50(43)33-39)40-29-31-44-42-14-6-9-18-48(42)54(51(44)34-40)49-19-10-7-15-45(49)47-17-11-12-32-53(47,54)4/h5-34,45,47,49H,1-4H3
InChIKeyJQFXFOZPGWZPJJ-UHFFFAOYSA-N
MW707.96 g/mol
LogP13.83
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine (PubChem CID 166906706) has the molecular formula C54H45N and a molecular weight of 707.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine
PubChem CID166906706
Molecular FormulaC54H45N
Molecular Weight707.96 g/mol
Exact Mass707.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine
SMILESCc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4C=CC=CC4C4C=CC=CC43C)cc2)cc1
InChIInChI=1S/C54H45N/c1-35-20-22-36(23-21-35)37-24-26-38(27-25-37)55(39-28-30-43-41-13-5-8-16-46(41)52(2,3)50(43)33-39)40-29-31-44-42-14-6-9-18-48(42)54(51(44)34-40)49-19-10-7-15-45(49)47-17-11-12-32-53(47,54)4/h5-34,45,47,49H,1-4H3
InChIKeyJQFXFOZPGWZPJJ-UHFFFAOYSA-N
XLogP13.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 91399665
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine (CID 166906706) is N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine is Cc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4C=CC=CC4C4C=CC=CC43C)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine?
The InChIKey is JQFXFOZPGWZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N/c1-35-20-22-36(23-21-35)37-24-26-38(27-25-37)55(39-28-30-43-41-13-5-8-16-46(41)52(2,3)50(43)33-39)40-29-31-44-42-14-6-9-18-48(42)54(51(44)34-40)49-19-10-7-15-45(49)47-17-11-12-32-53(47,54)4/h5-34,45,47,49H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine has a molecular weight of 707.96 g/mol, XLogP of 13.83, 4 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)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 166906706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).