N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine

C59H45NS — CID 170138734

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine
SMILESCC1CC=CC2=C1C1(c3ccc(N(C4=CCCc5sc6ccccc6c54)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C59H45NS/c1-36-17-14-24-42-45-35-37(33-34-49(45)59(57(36)42)47-26-10-4-18-38(47)39-19-5-11-27-48(39)59)60(52-30-16-32-54-56(52)44-22-8-13-31-53(44)61-54)51-29-12-7-20-40(51)41-23-15-28-50-55(41)43-21-6-9-25-46(43)58(50,2)3/h4-15,18-31,33-36H,16-17,32H2,1-3H3
InChIKeyXGFZAGFDIDDVQM-UHFFFAOYSA-N
MW800.08 g/mol
LogP15.68
Rot. Bonds4

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine (PubChem CID 170138734) has the molecular formula C59H45NS and a molecular weight of 800.08 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine
PubChem CID170138734
Molecular FormulaC59H45NS
Molecular Weight800.08 g/mol
Exact Mass799.33
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine
SMILESCC1CC=CC2=C1C1(c3ccc(N(C4=CCCc5sc6ccccc6c54)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C59H45NS/c1-36-17-14-24-42-45-35-37(33-34-49(45)59(57(36)42)47-26-10-4-18-38(47)39-19-5-11-27-48(39)59)60(52-30-16-32-54-56(52)44-22-8-13-31-53(44)61-54)51-29-12-7-20-40(51)41-23-15-28-50-55(41)43-21-6-9-25-46(43)58(50,2)3/h4-15,18-31,33-36H,16-17,32H2,1-3H3
InChIKeyXGFZAGFDIDDVQM-UHFFFAOYSA-N
XLogP15.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.08
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine with MolForge

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170140757
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 170138695
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine
CID 121391719
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine
CID 170138694
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)fluoren-2-amine
CID 121391711
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 170119312
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine (CID 170138734) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine is CC1CC=CC2=C1C1(c3ccc(N(C4=CCCc5sc6ccccc6c54)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc32)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine?
The InChIKey is XGFZAGFDIDDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45NS/c1-36-17-14-24-42-45-35-37(33-34-49(45)59(57(36)42)47-26-10-4-18-38(47)39-19-5-11-27-48(39)59)60(52-30-16-32-54-56(52)44-22-8-13-31-53(44)61-54)51-29-12-7-20-40(51)41-23-15-28-50-55(41)43-21-6-9-25-46(43)58(50,2)3/h4-15,18-31,33-36H,16-17,32H2,1-3H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine has a molecular weight of 800.08 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(8-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-3-yl)-3,4-dihydrodibenzothiophen-1-amine is sourced from PubChem (CID 170138734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).