2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

C65H64Br2N2 — CID 59718361

IUPAC2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(Br)cc5)c5ccc(C(C)(C)C)cc5)ccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C65H64Br2N2/c1-61(2,3)41-13-23-47(24-14-41)68(49-27-19-45(66)20-28-49)51-31-35-55-56-36-32-52(69(50-29-21-46(67)22-30-50)48-25-15-42(16-26-48)62(4,5)6)40-60(56)65(59(55)39-51)57-37-43(63(7,8)9)17-33-53(57)54-34-18-44(38-58(54)65)64(10,11)12/h13-40H,1-12H3
InChIKeyDKECSSYKDBADJL-UHFFFAOYSA-N
MW1033.05 g/mol
LogP19.68
Rot. Bonds6

About 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 59718361) has the molecular formula C65H64Br2N2 and a molecular weight of 1033.05 g/mol. Its IUPAC name is 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID59718361
Molecular FormulaC65H64Br2N2
Molecular Weight1033.05 g/mol
Exact Mass1030.34
IUPAC Name2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(Br)cc5)c5ccc(C(C)(C)C)cc5)ccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C65H64Br2N2/c1-61(2,3)41-13-23-47(24-14-41)68(49-27-19-45(66)20-28-49)51-31-35-55-56-36-32-52(69(50-29-21-46(67)22-30-50)48-25-15-42(16-26-48)62(4,5)6)40-60(56)65(59(55)39-51)57-37-43(63(7,8)9)17-33-53(57)54-34-18-44(38-58(54)65)64(10,11)12/h13-40H,1-12H3
InChIKeyDKECSSYKDBADJL-UHFFFAOYSA-N
XLogP19.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.05
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine 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-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177066973
CID 23590222
CID 23590222
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
5-[9-[3,5-bis(N-phenylanilino)phenyl]-2,7-ditert-butylfluoren-9-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58141937

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (CID 59718361) is 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(Br)cc5)c5ccc(C(C)(C)C)cc5)ccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1.
What is the InChIKey of 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is DKECSSYKDBADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H64Br2N2/c1-61(2,3)41-13-23-47(24-14-41)68(49-27-19-45(66)20-28-49)51-31-35-55-56-36-32-52(69(50-29-21-46(67)22-30-50)48-25-15-42(16-26-48)62(4,5)6)40-60(56)65(59(55)39-51)57-37-43(63(7,8)9)17-33-53(57)54-34-18-44(38-58(54)65)64(10,11)12/h13-40H,1-12H3.
What are the key properties of 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 1033.05 g/mol, XLogP of 19.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 59718361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).