9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine

C28H23N — CID 142504362

IUPAC9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N)ccc32)c2ccccc21
InChIInChI=1S/C28H23N/c1-27(2)23-11-5-7-13-25(23)28(26-14-8-6-12-24(26)27)21-10-4-3-9-19(21)20-17-18(29)15-16-22(20)28/h3-17H,29H2,1-2H3
InChIKeyGBWDXTSANSJRDT-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.27
Rot. Bonds

About 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine

9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine (PubChem CID 142504362) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine.

Molecular Properties

Compound Name9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
PubChem CID142504362
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N)ccc32)c2ccccc21
InChIInChI=1S/C28H23N/c1-27(2)23-11-5-7-13-25(23)28(26-14-8-6-12-24(26)27)21-10-4-3-9-19(21)20-17-18(29)15-16-22(20)28/h3-17H,29H2,1-2H3
InChIKeyGBWDXTSANSJRDT-UHFFFAOYSA-N
XLogP6.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.27
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]-3'-amine
CID 142477191
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504361
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
9,9-dimethylfluorene-2,6-diamine
CID 156512652
CID 146414271
CID 146414271
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 156902667

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
The IUPAC name of 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine (CID 142504362) is 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
The canonical SMILES for 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(N)ccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
The InChIKey is GBWDXTSANSJRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-27(2)23-11-5-7-13-25(23)28(26-14-8-6-12-24(26)27)21-10-4-3-9-19(21)20-17-18(29)15-16-22(20)28/h3-17H,29H2,1-2H3.
What are the key properties of 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine has a molecular weight of 373.50 g/mol, XLogP of 6.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine is sourced from PubChem (CID 142504362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).