9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine

C69H57NS — CID 122675379

IUPAC9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C69H57NS/c1-67(2,3)51-31-35-53(36-32-51)69(54-37-33-52(34-38-54)68(4,5)6)62-21-13-10-19-58(62)59-42-41-56(45-63(59)69)70(64-22-14-11-18-57(64)49-26-24-47(25-27-49)46-16-8-7-9-17-46)55-39-28-48(29-40-55)50-30-43-66-61(44-50)60-20-12-15-23-65(60)71-66/h7-45H,1-6H3
InChIKeyBPQMIVPFCGROOE-UHFFFAOYSA-N
MW932.29 g/mol
LogP19.48
Rot. Bonds8

About 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine

9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 122675379) has the molecular formula C69H57NS and a molecular weight of 932.29 g/mol. Its IUPAC name is 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID122675379
Molecular FormulaC69H57NS
Molecular Weight932.29 g/mol
Exact Mass931.42
IUPAC Name9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C69H57NS/c1-67(2,3)51-31-35-53(36-32-51)69(54-37-33-52(34-38-54)68(4,5)6)62-21-13-10-19-58(62)59-42-41-56(45-63(59)69)70(64-22-14-11-18-57(64)49-26-24-47(25-27-49)46-16-8-7-9-17-46)55-39-28-48(29-40-55)50-30-43-66-61(44-50)60-20-12-15-23-65(60)71-66/h7-45H,1-6H3
InChIKeyBPQMIVPFCGROOE-UHFFFAOYSA-N
XLogP19.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.29
LogP ≤ 519.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 122675267
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-9,9'-spirobi[fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 158679524
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463372
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159548995
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-[4-[4-(N-dibenzothiophen-2-yl-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-methylphenyl)-9,9-diphenylfluoren-2-amine;3-methyl-4-[2-methyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160562692
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 122675379) is 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc32)cc1.
What is the InChIKey of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is BPQMIVPFCGROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57NS/c1-67(2,3)51-31-35-53(36-32-51)69(54-37-33-52(34-38-54)68(4,5)6)62-21-13-10-19-58(62)59-42-41-56(45-63(59)69)70(64-22-14-11-18-57(64)49-26-24-47(25-27-49)46-16-8-7-9-17-46)55-39-28-48(29-40-55)50-30-43-66-61(44-50)60-20-12-15-23-65(60)71-66/h7-45H,1-6H3.
What are the key properties of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 932.29 g/mol, XLogP of 19.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 122675379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).