3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine

C75H63N — CID 170217357

IUPAC3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(CCc5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C75H63N/c1-71(2,3)47-32-38-65-59(42-47)60-43-48(72(4,5)6)33-39-66(60)75(65)64-30-17-12-22-52(64)55-37-35-50(45-68(55)75)76(69-31-18-13-24-56(69)58-26-19-25-57-53-23-10-15-28-62(53)73(7,8)70(57)58)49-34-36-54-51-21-11-16-29-63(51)74(67(54)44-49)41-40-46-20-9-14-27-61(46)74/h9-39,42-45H,40-41H2,1-8H3
InChIKeyXBVLVJJMTQNADS-UHFFFAOYSA-N
MW978.34 g/mol
LogP19.33
Rot. Bonds4

About 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine

3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170217357) has the molecular formula C75H63N and a molecular weight of 978.34 g/mol. Its IUPAC name is 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170217357
Molecular FormulaC75H63N
Molecular Weight978.34 g/mol
Exact Mass977.50
IUPAC Name3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(CCc5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C75H63N/c1-71(2,3)47-32-38-65-59(42-47)60-43-48(72(4,5)6)33-39-66(60)75(65)64-30-17-12-22-52(64)55-37-35-50(45-68(55)75)76(69-31-18-13-24-56(69)58-26-19-25-57-53-23-10-15-28-62(53)73(7,8)70(57)58)49-34-36-54-51-21-11-16-29-63(51)74(67(54)44-49)41-40-46-20-9-14-27-61(46)74/h9-39,42-45H,40-41H2,1-8H3
InChIKeyXBVLVJJMTQNADS-UHFFFAOYSA-N
XLogP19.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.34
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217336
3,6-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170215490
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 174330715
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170216421
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217849
9,9-bis(4-tert-butylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170216975
N-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170142627
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217273
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 157470286
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yldibenzothiophen-1-amine
CID 170216408

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine (CID 170217357) is 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(CCc5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is XBVLVJJMTQNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H63N/c1-71(2,3)47-32-38-65-59(42-47)60-43-48(72(4,5)6)33-39-66(60)75(65)64-30-17-12-22-52(64)55-37-35-50(45-68(55)75)76(69-31-18-13-24-56(69)58-26-19-25-57-53-23-10-15-28-62(53)73(7,8)70(57)58)49-34-36-54-51-21-11-16-29-63(51)74(67(54)44-49)41-40-46-20-9-14-27-61(46)74/h9-39,42-45H,40-41H2,1-8H3.
What are the key properties of 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine?
3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 978.34 g/mol, XLogP of 19.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170217357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).