(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

C54H44N2 — CID 170780186

IUPAC(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)c3cccc4ccccc34)cc21
InChIInChI=1S/C54H44N2/c1-53(2)48-22-12-11-21-46(48)47-29-28-44(36-51(47)53)56(52-23-13-15-37-14-9-10-20-45(37)52)43-27-25-39-31-33-54(50(39)35-43)32-30-38-24-26-42(34-49(38)54)55(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-29,34-36H,30-33H2,1-2H3/t54-/m1/s1
InChIKeyWKWSCIOEIHFASV-AXAMJWTMSA-N
MW720.96 g/mol
LogP14.26
Rot. Bonds6

About (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (PubChem CID 170780186) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.

Molecular Properties

Compound Name(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
PubChem CID170780186
Molecular FormulaC54H44N2
Molecular Weight720.96 g/mol
Exact Mass720.35
IUPAC Name(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)c3cccc4ccccc34)cc21
InChIInChI=1S/C54H44N2/c1-53(2)48-22-12-11-21-46(48)47-29-28-44(36-51(47)53)56(52-23-13-15-37-14-9-10-20-45(37)52)43-27-25-39-31-33-54(50(39)35-43)32-30-38-24-26-42(34-49(38)54)55(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-29,34-36H,30-33H2,1-2H3/t54-/m1/s1
InChIKeyWKWSCIOEIHFASV-AXAMJWTMSA-N
XLogP14.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
5-N-(9,9-dimethylfluoren-2-yl)-5-N-naphthalen-1-yl-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660915
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526

Frequently Asked Questions

What is the IUPAC name of (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The IUPAC name of (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (CID 170780186) is (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.
What is the SMILES notation for (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The canonical SMILES for (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)c3cccc4ccccc34)cc21.
What is the InChIKey of (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The InChIKey is WKWSCIOEIHFASV-AXAMJWTMSA-N. The full InChI is InChI=1S/C54H44N2/c1-53(2)48-22-12-11-21-46(48)47-29-28-44(36-51(47)53)56(52-23-13-15-37-14-9-10-20-45(37)52)43-27-25-39-31-33-54(50(39)35-43)32-30-38-24-26-42(34-49(38)54)55(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-29,34-36H,30-33H2,1-2H3/t54-/m1/s1.
What are the key properties of (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine has a molecular weight of 720.96 g/mol, XLogP of 14.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is sourced from PubChem (CID 170780186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).