2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C57H49N — CID 174159235

IUPAC2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C57H49N/c1-55(2,3)41-30-34-45-46-35-31-42(56(4,5)6)37-51(46)57(50(45)36-41)48-24-15-13-23-47(48)54-49(57)25-17-27-53(54)58(43-32-28-39(29-33-43)38-18-9-7-10-19-38)52-26-16-14-22-44(52)40-20-11-8-12-21-40/h7-37H,1-6H3
InChIKeyHWXXZKWTFWKXAL-UHFFFAOYSA-N
MW748.03 g/mol
LogP15.43
Rot. Bonds5

About 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 174159235) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID174159235
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC Name2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C57H49N/c1-55(2,3)41-30-34-45-46-35-31-42(56(4,5)6)37-51(46)57(50(45)36-41)48-24-15-13-23-47(48)54-49(57)25-17-27-53(54)58(43-32-28-39(29-33-43)38-18-9-7-10-19-38)52-26-16-14-22-44(52)40-20-11-8-12-21-40/h7-37H,1-6H3
InChIKeyHWXXZKWTFWKXAL-UHFFFAOYSA-N
XLogP15.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-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

2',7'-ditert-butyl-N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170117072
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 174278515
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)fluoren-4-yl]-2',7'-ditert-butyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134415484
N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 174294336
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216999

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 174159235) is 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is HWXXZKWTFWKXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-55(2,3)41-30-34-45-46-35-31-42(56(4,5)6)37-51(46)57(50(45)36-41)48-24-15-13-23-47(48)54-49(57)25-17-27-53(54)58(43-32-28-39(29-33-43)38-18-9-7-10-19-38)52-26-16-14-22-44(52)40-20-11-8-12-21-40/h7-37H,1-6H3.
What are the key properties of 2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 748.03 g/mol, XLogP of 15.43, 5 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-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 174159235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).