2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine

C120H107BrN2 — CID 160929350

IUPAC2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2.[2H]C([2H])([2H])C(C)(C)c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(C(C)(C)C)cc32)cc1.[2H]C([2H])([2H])C(C)(C)c1ccc(-c2ccccc2Nc2ccc3c(c2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C60H53N.C31H31N.C29H23Br/c1-57(2,3)39-27-25-38(26-28-39)43-17-12-16-24-56(43)61(41-31-34-51-49(36-41)46-20-9-13-21-50(46)59(51,7)8)42-30-33-48-45-19-11-15-23-53(45)60(55(48)37-42)52-22-14-10-18-44(52)47-32-29-40(35-54(47)60)58(4,5)6;1-30(2,3)22-16-14-21(15-17-22)24-10-7-9-13-29(24)32-23-18-19-28-26(20-23)25-11-6-8-12-27(25)31(28,4)5;1-28(2,3)18-12-14-22-20-8-4-6-10-24(20)29(26(22)16-18)25-11-7-5-9-21(25)23-15-13-19(30)17-27(23)29/h9-37H,1-8H3;6-20,32H,1-5H3;4-17H,1-3H3/i2*1D3;
InChIKeySTBBVYKGXYCENW-CKFJQVKPSA-N
MW1663.13 g/mol
LogP32.86
Rot. Bonds7

About 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine

2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine (PubChem CID 160929350) has the molecular formula C120H107BrN2 and a molecular weight of 1663.13 g/mol. Its IUPAC name is 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine.

Molecular Properties

Compound Name2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine
PubChem CID160929350
Molecular FormulaC120H107BrN2
Molecular Weight1663.13 g/mol
Exact Mass1660.80
IUPAC Name2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2.[2H]C([2H])([2H])C(C)(C)c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(C(C)(C)C)cc32)cc1.[2H]C([2H])([2H])C(C)(C)c1ccc(-c2ccccc2Nc2ccc3c(c2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C60H53N.C31H31N.C29H23Br/c1-57(2,3)39-27-25-38(26-28-39)43-17-12-16-24-56(43)61(41-31-34-51-49(36-41)46-20-9-13-21-50(46)59(51,7)8)42-30-33-48-45-19-11-15-23-53(45)60(55(48)37-42)52-22-14-10-18-44(52)47-32-29-40(35-54(47)60)58(4,5)6;1-30(2,3)22-16-14-21(15-17-22)24-10-7-9-13-29(24)32-23-18-19-28-26(20-23)25-11-6-8-12-27(25)31(28,4)5;1-28(2,3)18-12-14-22-20-8-4-6-10-24(20)29(26(22)16-18)25-11-7-5-9-21(25)23-15-13-19(30)17-27(23)29/h9-37H,1-8H3;6-20,32H,1-5H3;4-17H,1-3H3/i2*1D3;
InChIKeySTBBVYKGXYCENW-CKFJQVKPSA-N
XLogP32.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001663.13
LogP ≤ 532.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine with MolForge

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Related Compounds

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-[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
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588638
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560
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
2',7'-ditert-butyl-N-[2-(2-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-[4-(2-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2,2-dimethylpropyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160813603
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-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine?
The IUPAC name of 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine (CID 160929350) is 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine.
What is the SMILES notation for 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine?
The canonical SMILES for 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2.[2H]C([2H])([2H])C(C)(C)c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(C(C)(C)C)cc32)cc1.[2H]C([2H])([2H])C(C)(C)c1ccc(-c2ccccc2Nc2ccc3c(c2)-c2ccccc2C3(C)C)cc1.
What is the InChIKey of 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine?
The InChIKey is STBBVYKGXYCENW-CKFJQVKPSA-N. The full InChI is InChI=1S/C60H53N.C31H31N.C29H23Br/c1-57(2,3)39-27-25-38(26-28-39)43-17-12-16-24-56(43)61(41-31-34-51-49(36-41)46-20-9-13-21-50(46)59(51,7)8)42-30-33-48-45-19-11-15-23-53(45)60(55(48)37-42)52-22-14-10-18-44(52)47-32-29-40(35-54(47)60)58(4,5)6;1-30(2,3)22-16-14-21(15-17-22)24-10-7-9-13-29(24)32-23-18-19-28-26(20-23)25-11-6-8-12-27(25)31(28,4)5;1-28(2,3)18-12-14-22-20-8-4-6-10-24(20)29(26(22)16-18)25-11-7-5-9-21(25)23-15-13-19(30)17-27(23)29/h9-37H,1-8H3;6-20,32H,1-5H3;4-17H,1-3H3/i2*1D3;.
What are the key properties of 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine?
2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine has a molecular weight of 1663.13 g/mol, XLogP of 32.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-2-tert-butyl-9,9'-spirobi[fluorene];2-tert-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;9,9-dimethyl-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]fluoren-3-amine is sourced from PubChem (CID 160929350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).