N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine

C54H39N — CID 23150330

IUPACN-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C54H39N/c1-52(2,3)55(34-28-30-42-40-20-8-14-26-48(40)53(50(42)32-34)44-22-10-4-16-36(44)37-17-5-11-23-45(37)53)35-29-31-43-41-21-9-15-27-49(41)54(51(43)33-35)46-24-12-6-18-38(46)39-19-7-13-25-47(39)54/h4-33H,1-3H3
InChIKeyYKAAQTBMPBLNOI-UHFFFAOYSA-N
MW701.91 g/mol
LogP13.31
Rot. Bonds2

About N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine

N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 23150330) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID23150330
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C54H39N/c1-52(2,3)55(34-28-30-42-40-20-8-14-26-48(40)53(50(42)32-34)44-22-10-4-16-36(44)37-17-5-11-23-45(37)53)35-29-31-43-41-21-9-15-27-49(41)54(51(43)33-35)46-24-12-6-18-38(46)39-19-7-13-25-47(39)54/h4-33H,1-3H3
InChIKeyYKAAQTBMPBLNOI-UHFFFAOYSA-N
XLogP13.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 177281251
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262272
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
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-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane
CID 161082547
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine (CID 23150330) is N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is YKAAQTBMPBLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-52(2,3)55(34-28-30-42-40-20-8-14-26-48(40)53(50(42)32-34)44-22-10-4-16-36(44)37-17-5-11-23-45(37)53)35-29-31-43-41-21-9-15-27-49(41)54(51(43)33-35)46-24-12-6-18-38(46)39-19-7-13-25-47(39)54/h4-33H,1-3H3.
What are the key properties of N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine?
N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 701.91 g/mol, XLogP of 13.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 23150330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).