2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine

C33H33N — CID 151739192

IUPAC2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C33H33N/c1-31(2,3)20-11-14-24-25-15-12-21(32(4,5)6)18-29(25)33(28(24)17-20)27-10-8-7-9-23(27)26-16-13-22(34)19-30(26)33/h7-19H,34H2,1-6H3
InChIKeyRMEAIRNZBLBALO-UHFFFAOYSA-N
MW443.63 g/mol
LogP8.21
Rot. Bonds

About 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 151739192) has the molecular formula C33H33N and a molecular weight of 443.63 g/mol. Its IUPAC name is 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID151739192
Molecular FormulaC33H33N
Molecular Weight443.63 g/mol
Exact Mass443.26
IUPAC Name2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C33H33N/c1-31(2,3)20-11-14-24-25-15-12-21(32(4,5)6)18-29(25)33(28(24)17-20)27-10-8-7-9-23(27)26-16-13-22(34)19-30(26)33/h7-19H,34H2,1-6H3
InChIKeyRMEAIRNZBLBALO-UHFFFAOYSA-N
XLogP8.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 58.21
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

2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
CID 174069072
CID 174069072
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
CID 156687680
CID 156687680
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
2,7-ditert-butyl-1'-(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 141125012
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine (CID 151739192) is 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RMEAIRNZBLBALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N/c1-31(2,3)20-11-14-24-25-15-12-21(32(4,5)6)18-29(25)33(28(24)17-20)27-10-8-7-9-23(27)26-16-13-22(34)19-30(26)33/h7-19H,34H2,1-6H3.
What are the key properties of 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 443.63 g/mol, XLogP of 8.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 151739192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).