(8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine

C58H50N2 — CID 170780056

IUPAC(8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3[C@]3(CCCc5cccc(N(c6ccccc6)c6ccccc6)c53)CCC4)cc21
InChIInChI=1S/C58H50N2/c1-57(2)50-32-14-12-31-48(50)49-37-36-46(40-51(49)57)60(52-33-15-13-30-47(52)41-20-6-3-7-21-41)54-35-17-23-43-25-19-39-58(56(43)54)38-18-24-42-22-16-34-53(55(42)58)59(44-26-8-4-9-27-44)45-28-10-5-11-29-45/h3-17,20-23,26-37,40H,18-19,24-25,38-39H2,1-2H3/t58-/m1/s1
InChIKeyXGTJPQVVBOCROE-QPUWJJAWSA-N
MW775.05 g/mol
LogP15.56
Rot. Bonds7

About (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine

(8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine (PubChem CID 170780056) has the molecular formula C58H50N2 and a molecular weight of 775.05 g/mol. Its IUPAC name is (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine.

Molecular Properties

Compound Name(8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine
PubChem CID170780056
Molecular FormulaC58H50N2
Molecular Weight775.05 g/mol
Exact Mass774.40
IUPAC Name(8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3[C@]3(CCCc5cccc(N(c6ccccc6)c6ccccc6)c53)CCC4)cc21
InChIInChI=1S/C58H50N2/c1-57(2)50-32-14-12-31-48(50)49-37-36-46(40-51(49)57)60(52-33-15-13-30-47(52)41-20-6-3-7-21-41)54-35-17-23-43-25-19-39-58(56(43)54)38-18-24-42-22-16-34-53(55(42)58)59(44-26-8-4-9-27-44)45-28-10-5-11-29-45/h3-17,20-23,26-37,40H,18-19,24-25,38-39H2,1-2H3/t58-/m1/s1
InChIKeyXGTJPQVVBOCROE-QPUWJJAWSA-N
XLogP15.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.05
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine with MolForge

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Related Compounds

(3R)-4-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N'-diphenyl-4-N'-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780003
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216369
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]fluoren-2-amine
CID 176846292
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259

Frequently Asked Questions

What is the IUPAC name of (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine?
The IUPAC name of (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine (CID 170780056) is (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine.
What is the SMILES notation for (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine?
The canonical SMILES for (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3[C@]3(CCCc5cccc(N(c6ccccc6)c6ccccc6)c53)CCC4)cc21.
What is the InChIKey of (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine?
The InChIKey is XGTJPQVVBOCROE-QPUWJJAWSA-N. The full InChI is InChI=1S/C58H50N2/c1-57(2)50-32-14-12-31-48(50)49-37-36-46(40-51(49)57)60(52-33-15-13-30-47(52)41-20-6-3-7-21-41)54-35-17-23-43-25-19-39-58(56(43)54)38-18-24-42-22-16-34-53(55(42)58)59(44-26-8-4-9-27-44)45-28-10-5-11-29-45/h3-17,20-23,26-37,40H,18-19,24-25,38-39H2,1-2H3/t58-/m1/s1.
What are the key properties of (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine?
(8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine has a molecular weight of 775.05 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine is sourced from PubChem (CID 170780056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).