N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C55H43N — CID 123555907

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)c1cccc(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C55H43N/c1-35(2)36-16-15-17-37(32-36)40-18-9-14-27-53(40)56(38-28-30-45-41-19-5-10-23-47(41)54(3,4)51(45)33-38)39-29-31-46-44-22-8-13-26-50(44)55(52(46)34-39)48-24-11-6-20-42(48)43-21-7-12-25-49(43)55/h5-35H,1-4H3
InChIKeyMFQKNBAOKMMXSV-UHFFFAOYSA-N
MW717.96 g/mol
LogP14.60
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 123555907) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID123555907
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)c1cccc(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C55H43N/c1-35(2)36-16-15-17-37(32-36)40-18-9-14-27-53(40)56(38-28-30-45-41-19-5-10-23-47(41)54(3,4)51(45)33-38)39-29-31-46-44-22-8-13-26-50(44)55(52(46)34-39)48-24-11-6-20-42(48)43-21-7-12-25-49(43)55/h5-35H,1-4H3
InChIKeyMFQKNBAOKMMXSV-UHFFFAOYSA-N
XLogP14.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159146221
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160701303
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-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-ylfluoren-2-amine
CID 121391735
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 121361277

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 123555907) is N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CC(C)c1cccc(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is MFQKNBAOKMMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-35(2)36-16-15-17-37(32-36)40-18-9-14-27-53(40)56(38-28-30-45-41-19-5-10-23-47(41)54(3,4)51(45)33-38)39-29-31-46-44-22-8-13-26-50(44)55(52(46)34-39)48-24-11-6-20-42(48)43-21-7-12-25-49(43)55/h5-35H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 717.96 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-propan-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 123555907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).