N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine

C52H49N — CID 167287438

IUPACN-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(c2ccc3c(c2)C2(c4ccccc4-c4ccc(Nc5ccc6c(c5)C(C)(C)c5ccccc5-6)cc42)c2cc(C4(C)CCCC4)ccc2-3)CCCC1
InChIInChI=1S/C52H49N/c1-49(2)43-15-7-5-13-37(43)39-23-19-35(31-45(39)49)53-36-20-24-42-38-14-6-8-16-44(38)52(48(42)32-36)46-29-33(50(3)25-9-10-26-50)17-21-40(46)41-22-18-34(30-47(41)52)51(4)27-11-12-28-51/h5-8,13-24,29-32,53H,9-12,25-28H2,1-4H3
InChIKeyVNAXHCZETATSFR-UHFFFAOYSA-N
MW687.97 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167287438) has the molecular formula C52H49N and a molecular weight of 687.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID167287438
Molecular FormulaC52H49N
Molecular Weight687.97 g/mol
Exact Mass687.39
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(c2ccc3c(c2)C2(c4ccccc4-c4ccc(Nc5ccc6c(c5)C(C)(C)c5ccccc5-6)cc42)c2cc(C4(C)CCCC4)ccc2-3)CCCC1
InChIInChI=1S/C52H49N/c1-49(2)43-15-7-5-13-37(43)39-23-19-35(31-45(39)49)53-36-20-24-42-38-14-6-8-16-44(38)52(48(42)32-36)46-29-33(50(3)25-9-10-26-50)17-21-40(46)41-22-18-34(30-47(41)52)51(4)27-11-12-28-51/h5-8,13-24,29-32,53H,9-12,25-28H2,1-4H3
InChIKeyVNAXHCZETATSFR-UHFFFAOYSA-N
XLogP13.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.97
LogP ≤ 513.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-7-(1-methylcyclopropyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 144671031
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine
CID 139380071
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine (CID 167287438) is N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine is CC1(c2ccc3c(c2)C2(c4ccccc4-c4ccc(Nc5ccc6c(c5)C(C)(C)c5ccccc5-6)cc42)c2cc(C4(C)CCCC4)ccc2-3)CCCC1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VNAXHCZETATSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49N/c1-49(2)43-15-7-5-13-37(43)39-23-19-35(31-45(39)49)53-36-20-24-42-38-14-6-8-16-44(38)52(48(42)32-36)46-29-33(50(3)25-9-10-26-50)17-21-40(46)41-22-18-34(30-47(41)52)51(4)27-11-12-28-51/h5-8,13-24,29-32,53H,9-12,25-28H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 687.97 g/mol, XLogP of 13.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167287438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).