N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

C56H43N — CID 177124785

IUPACN-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3C3CCC3)cc21
InChIInChI=1S/C56H43N/c1-55(2)48-25-10-5-20-41(48)45-32-30-37(34-52(45)55)57(54-29-14-9-24-47(54)40-19-4-3-18-39(40)36-16-15-17-36)38-31-33-46-44-23-8-13-28-51(44)56(53(46)35-38)49-26-11-6-21-42(49)43-22-7-12-27-50(43)56/h3-14,18-36H,15-17H2,1-2H3
InChIKeyRHRBWQUWPRZIPT-UHFFFAOYSA-N
MW729.97 g/mol
LogP14.74
Rot. Bonds5

About N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 177124785) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID177124785
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3C3CCC3)cc21
InChIInChI=1S/C56H43N/c1-55(2)48-25-10-5-20-41(48)45-32-30-37(34-52(45)55)57(54-29-14-9-24-47(54)40-19-4-3-18-39(40)36-16-15-17-36)38-31-33-46-44-23-8-13-28-51(44)56(53(46)35-38)49-26-11-6-21-42(49)43-22-7-12-27-50(43)56/h3-14,18-36H,15-17H2,1-2H3
InChIKeyRHRBWQUWPRZIPT-UHFFFAOYSA-N
XLogP14.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-cyclohexylphenyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771699
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164970193
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812120
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
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497
N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 177124721
1-bromo-2-cyclohexylbenzene;N-(2-cyclohexylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164961388
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160916569

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (CID 177124785) is N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3C3CCC3)cc21.
What is the InChIKey of N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RHRBWQUWPRZIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)48-25-10-5-20-41(48)45-32-30-37(34-52(45)55)57(54-29-14-9-24-47(54)40-19-4-3-18-39(40)36-16-15-17-36)38-31-33-46-44-23-8-13-28-51(44)56(53(46)35-38)49-26-11-6-21-42(49)43-22-7-12-27-50(43)56/h3-14,18-36H,15-17H2,1-2H3.
What are the key properties of N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 729.97 g/mol, XLogP of 14.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 177124785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).