9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine

C56H50N2 — CID 171416190

IUPAC9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC1CCCCC1(c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H50N2/c1-40-17-14-15-38-56(40,43-30-34-47(35-31-43)58(45-22-8-5-9-23-45)54-27-16-19-41-18-10-11-24-49(41)54)42-28-32-46(33-29-42)57(44-20-6-4-7-21-44)48-36-37-51-50-25-12-13-26-52(50)55(2,3)53(51)39-48/h4-13,16,18-37,39-40H,14-15,17,38H2,1-3H3
InChIKeyRRAJIKFPZRQLGY-UHFFFAOYSA-N
MW751.03 g/mol
LogP15.58
Rot. Bonds8

About 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine (PubChem CID 171416190) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine
PubChem CID171416190
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC Name9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC1CCCCC1(c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H50N2/c1-40-17-14-15-38-56(40,43-30-34-47(35-31-43)58(45-22-8-5-9-23-45)54-27-16-19-41-18-10-11-24-49(41)54)42-28-32-46(33-29-42)57(44-20-6-4-7-21-44)48-36-37-51-50-25-12-13-26-52(50)55(2,3)53(51)39-48/h4-13,16,18-37,39-40H,14-15,17,38H2,1-3H3
InChIKeyRRAJIKFPZRQLGY-UHFFFAOYSA-N
XLogP15.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.03
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
CID 171416145
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171416383
9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine
CID 171416198
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
(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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine (CID 171416190) is 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine is CC1CCCCC1(c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine?
The InChIKey is RRAJIKFPZRQLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-40-17-14-15-38-56(40,43-30-34-47(35-31-43)58(45-22-8-5-9-23-45)54-27-16-19-41-18-10-11-24-49(41)54)42-28-32-46(33-29-42)57(44-20-6-4-7-21-44)48-36-37-51-50-25-12-13-26-52(50)55(2,3)53(51)39-48/h4-13,16,18-37,39-40H,14-15,17,38H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine has a molecular weight of 751.03 g/mol, XLogP of 15.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 171416190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).