2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C60H53N — CID 66807436

IUPAC2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C60H53N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-37H,1-8H3
InChIKeyYOGPJFSYRIXXKO-UHFFFAOYSA-N
MW788.09 g/mol
LogP16.07
Rot. Bonds4

About 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 66807436) has the molecular formula C60H53N and a molecular weight of 788.09 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID66807436
Molecular FormulaC60H53N
Molecular Weight788.09 g/mol
Exact Mass787.42
IUPAC Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C60H53N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-37H,1-8H3
InChIKeyYOGPJFSYRIXXKO-UHFFFAOYSA-N
XLogP16.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.09
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 66807436) is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is YOGPJFSYRIXXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-37H,1-8H3.
What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 788.09 g/mol, XLogP of 16.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 66807436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).