(3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

C53H48N2 — CID 170779988

IUPAC(3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESCc1cc(C)c2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3[C@]3(CCc5cccc(N(c6ccccc6)c6ccccc6)c53)CC4)c(C)cc1-2
InChIInChI=1S/C53H48N2/c1-35-31-37(3)49-43-33-36(2)48(34-44(43)52(4,5)45(49)32-35)55(42-23-13-8-14-24-42)47-26-16-18-39-28-30-53(51(39)47)29-27-38-17-15-25-46(50(38)53)54(40-19-9-6-10-20-40)41-21-11-7-12-22-41/h6-26,31-34H,27-30H2,1-5H3/t53-/m1/s1
InChIKeyALWBHGAALILMAV-IONAWPRUSA-N
MW712.98 g/mol
LogP14.04
Rot. Bonds6

About (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

(3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (PubChem CID 170779988) has the molecular formula C53H48N2 and a molecular weight of 712.98 g/mol. Its IUPAC name is (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.

Molecular Properties

Compound Name(3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
PubChem CID170779988
Molecular FormulaC53H48N2
Molecular Weight712.98 g/mol
Exact Mass712.38
IUPAC Name(3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESCc1cc(C)c2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3[C@]3(CCc5cccc(N(c6ccccc6)c6ccccc6)c53)CC4)c(C)cc1-2
InChIInChI=1S/C53H48N2/c1-35-31-37(3)49-43-33-36(2)48(34-44(43)52(4,5)45(49)32-35)55(42-23-13-8-14-24-42)47-26-16-18-39-28-30-53(51(39)47)29-27-38-17-15-25-46(50(38)53)54(40-19-9-6-10-20-40)41-21-11-7-12-22-41/h6-26,31-34H,27-30H2,1-5H3/t53-/m1/s1
InChIKeyALWBHGAALILMAV-IONAWPRUSA-N
XLogP14.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.98
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine with MolForge

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Related Compounds

(3R)-4-N,4-N,4-N'-triphenyl-4-N'-(4,9,9-trimethylfluoren-3-yl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780034
3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59782322
(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
(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
(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(5,9,9-trimethylfluoren-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170779845
(3R)-4-N,4-N'-diphenyl-4-N'-[3-(N-phenylanilino)phenyl]-4-N-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780252
1-N,1-N,5-N,5-N-tetraphenyl-3-N-(4-phenylphenyl)-3-N-(5,7,9,9-tetramethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117455
4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 58232463
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446540
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenylfluoren-2-amine
CID 174287822
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307

Frequently Asked Questions

What is the IUPAC name of (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The IUPAC name of (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (CID 170779988) is (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.
What is the SMILES notation for (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The canonical SMILES for (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is Cc1cc(C)c2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3[C@]3(CCc5cccc(N(c6ccccc6)c6ccccc6)c53)CC4)c(C)cc1-2.
What is the InChIKey of (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The InChIKey is ALWBHGAALILMAV-IONAWPRUSA-N. The full InChI is InChI=1S/C53H48N2/c1-35-31-37(3)49-43-33-36(2)48(34-44(43)52(4,5)45(49)32-35)55(42-23-13-8-14-24-42)47-26-16-18-39-28-30-53(51(39)47)29-27-38-17-15-25-46(50(38)53)54(40-19-9-6-10-20-40)41-21-11-7-12-22-41/h6-26,31-34H,27-30H2,1-5H3/t53-/m1/s1.
What are the key properties of (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
(3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine has a molecular weight of 712.98 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-N'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is sourced from PubChem (CID 170779988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).