(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

C56H46N2 — CID 170780003

IUPAC(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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3[C@]3(CCc5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c53)CC4)ccc21
InChIInChI=1S/C56H46N2/c1-55(2)49-28-13-12-27-47(49)48-38-46(31-32-50(48)55)58(44-24-10-5-11-25-44)52-30-16-20-41-34-36-56(54(41)52)35-33-40-19-15-29-51(53(40)56)57(43-22-8-4-9-23-43)45-26-14-21-42(37-45)39-17-6-3-7-18-39/h3-32,37-38H,33-36H2,1-2H3/t56-/m1/s1
InChIKeyCGLMLTMHTIVPCY-LXXIDKMWSA-N
MW747.00 g/mol
LogP14.78
Rot. Bonds7

About (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

(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 (PubChem CID 170780003) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170780003
Molecular FormulaC56H46N2
Molecular Weight747.00 g/mol
Exact Mass746.37
IUPAC Name(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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3[C@]3(CCc5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c53)CC4)ccc21
InChIInChI=1S/C56H46N2/c1-55(2)49-28-13-12-27-47(49)48-38-46(31-32-50(48)55)58(44-24-10-5-11-25-44)52-30-16-20-41-34-36-56(54(41)52)35-33-40-19-15-29-51(53(40)56)57(43-22-8-4-9-23-43)45-26-14-21-42(37-45)39-17-6-3-7-18-39/h3-32,37-38H,33-36H2,1-2H3/t56-/m1/s1
InChIKeyCGLMLTMHTIVPCY-LXXIDKMWSA-N
XLogP14.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

(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
(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)-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
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3[C@]3(CCc5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c53)CC4)ccc21.
What is the InChIKey of (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?
The InChIKey is CGLMLTMHTIVPCY-LXXIDKMWSA-N. The full InChI is InChI=1S/C56H46N2/c1-55(2)49-28-13-12-27-47(49)48-38-46(31-32-50(48)55)58(44-24-10-5-11-25-44)52-30-16-20-41-34-36-56(54(41)52)35-33-40-19-15-29-51(53(40)56)57(43-22-8-4-9-23-43)45-26-14-21-42(37-45)39-17-6-3-7-18-39/h3-32,37-38H,33-36H2,1-2H3/t56-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 747.00 g/mol, XLogP of 14.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170780003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).