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

C58H54N2 — CID 171416198

IUPAC9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC(C)C1CCC(c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C58H54N2/c1-41(2)42-36-38-58(39-37-42,45-28-32-49(33-29-45)60(47-20-9-6-10-21-47)56-25-15-17-43-16-11-12-22-51(43)56)44-26-30-48(31-27-44)59(46-18-7-5-8-19-46)50-34-35-53-52-23-13-14-24-54(52)57(3,4)55(53)40-50/h5-35,40-42H,36-39H2,1-4H3
InChIKeyBLRAYWHLBVFHBV-UHFFFAOYSA-N
MW779.08 g/mol
LogP16.22
Rot. Bonds9

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

9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine (PubChem CID 171416198) has the molecular formula C58H54N2 and a molecular weight of 779.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine
PubChem CID171416198
Molecular FormulaC58H54N2
Molecular Weight779.08 g/mol
Exact Mass778.43
IUPAC Name9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC(C)C1CCC(c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C58H54N2/c1-41(2)42-36-38-58(39-37-42,45-28-32-49(33-29-45)60(47-20-9-6-10-21-47)56-25-15-17-43-16-11-12-22-51(43)56)44-26-30-48(31-27-44)59(46-18-7-5-8-19-46)50-34-35-53-52-23-13-14-24-54(52)57(3,4)55(53)40-50/h5-35,40-42H,36-39H2,1-4H3
InChIKeyBLRAYWHLBVFHBV-UHFFFAOYSA-N
XLogP16.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.08
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171416263
(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,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
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine
CID 171416190
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-[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
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
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
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
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine (CID 171416198) is 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine is CC(C)C1CCC(c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)CC1.
What is the InChIKey of 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine?
The InChIKey is BLRAYWHLBVFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2/c1-41(2)42-36-38-58(39-37-42,45-28-32-49(33-29-45)60(47-20-9-6-10-21-47)56-25-15-17-43-16-11-12-22-51(43)56)44-26-30-48(31-27-44)59(46-18-7-5-8-19-46)50-34-35-53-52-23-13-14-24-54(52)57(3,4)55(53)40-50/h5-35,40-42H,36-39H2,1-4H3.
What are the key properties of 9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[4-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine has a molecular weight of 779.08 g/mol, XLogP of 16.22, 9 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-[1-[4-(N-naphthalen-1-ylanilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 171416198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).