9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine

C55H47N — CID 142504361

IUPAC9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(CCc3ccc4ccccc4c3)cc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(N)ccc32)c2ccccc21
InChIInChI=1S/C28H23N.C27H24/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;1-27(2)25-10-6-5-9-23(25)24-16-14-20(18-26(24)27)12-11-19-13-15-21-7-3-4-8-22(21)17-19/h3-17H,29H2,1-2H3;3-10,13-18H,11-12H2,1-2H3
InChIKeyKMZSUBMIHRBKFY-UHFFFAOYSA-N
MW721.99 g/mol
LogP13.20
Rot. Bonds3

About 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine

9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine (PubChem CID 142504361) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine.

Molecular Properties

Compound Name9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
PubChem CID142504361
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC Name9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(CCc3ccc4ccccc4c3)cc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(N)ccc32)c2ccccc21
InChIInChI=1S/C28H23N.C27H24/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;1-27(2)25-10-6-5-9-23(25)24-16-14-20(18-26(24)27)12-11-19-13-15-21-7-3-4-8-22(21)17-19/h3-17H,29H2,1-2H3;3-10,13-18H,11-12H2,1-2H3
InChIKeyKMZSUBMIHRBKFY-UHFFFAOYSA-N
XLogP13.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 513.20
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

9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
9,9-dimethylfluorene-2,6-diamine
CID 156512652
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 153302549
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
2-[6-(2,2-dimethylpropyl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 91591748
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
6-benzyl-9,9-dimethylfluoren-3-amine
CID 129301138

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
The IUPAC name of 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine (CID 142504361) is 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
The canonical SMILES for 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(CCc3ccc4ccccc4c3)cc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(N)ccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
The InChIKey is KMZSUBMIHRBKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N.C27H24/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;1-27(2)25-10-6-5-9-23(25)24-16-14-20(18-26(24)27)12-11-19-13-15-21-7-3-4-8-22(21)17-19/h3-17H,29H2,1-2H3;3-10,13-18H,11-12H2,1-2H3.
What are the key properties of 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine?
9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine has a molecular weight of 721.99 g/mol, XLogP of 13.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine is sourced from PubChem (CID 142504361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).