3-methyl-9,9'-spirobi[fluorene]-3'-amine

C26H19N — CID 142477191

IUPAC3-methyl-9,9'-spirobi[fluorene]-3'-amine
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N)ccc21
InChIInChI=1S/C26H19N/c1-16-10-12-24-20(14-16)18-6-2-4-8-22(18)26(24)23-9-5-3-7-19(23)21-15-17(27)11-13-25(21)26/h2-15H,27H2,1H3
InChIKeyCQSGTVYDWHEFHK-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.92
Rot. Bonds

About 3-methyl-9,9'-spirobi[fluorene]-3'-amine

3-methyl-9,9'-spirobi[fluorene]-3'-amine (PubChem CID 142477191) has the molecular formula C26H19N and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-methyl-9,9'-spirobi[fluorene]-3'-amine.

Molecular Properties

Compound Name3-methyl-9,9'-spirobi[fluorene]-3'-amine
PubChem CID142477191
Molecular FormulaC26H19N
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC Name3-methyl-9,9'-spirobi[fluorene]-3'-amine
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N)ccc21
InChIInChI=1S/C26H19N/c1-16-10-12-24-20(14-16)18-6-2-4-8-22(18)26(24)23-9-5-3-7-19(23)21-15-17(27)11-13-25(21)26/h2-15H,27H2,1H3
InChIKeyCQSGTVYDWHEFHK-UHFFFAOYSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
CID 58607554
CID 58607554
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
iodobenzene;2-methyl-9,9'-spirobi[fluorene]-2'-amine;2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 157064836

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9,9'-spirobi[fluorene]-3'-amine?
The IUPAC name of 3-methyl-9,9'-spirobi[fluorene]-3'-amine (CID 142477191) is 3-methyl-9,9'-spirobi[fluorene]-3'-amine.
What is the SMILES notation for 3-methyl-9,9'-spirobi[fluorene]-3'-amine?
The canonical SMILES for 3-methyl-9,9'-spirobi[fluorene]-3'-amine is Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N)ccc21.
What is the InChIKey of 3-methyl-9,9'-spirobi[fluorene]-3'-amine?
The InChIKey is CQSGTVYDWHEFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c1-16-10-12-24-20(14-16)18-6-2-4-8-22(18)26(24)23-9-5-3-7-19(23)21-15-17(27)11-13-25(21)26/h2-15H,27H2,1H3.
What are the key properties of 3-methyl-9,9'-spirobi[fluorene]-3'-amine?
3-methyl-9,9'-spirobi[fluorene]-3'-amine has a molecular weight of 345.45 g/mol, XLogP of 5.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9,9'-spirobi[fluorene]-3'-amine is sourced from PubChem (CID 142477191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).