N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine

C54H41NS — CID 170119142

IUPACN-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C54H41NS/c1-3-17-37(18-4-1)40-19-5-6-20-41(40)42-21-7-8-22-43(42)46-24-10-13-27-51(46)55(39-30-32-48-47-25-11-14-28-52(47)56-53(48)36-39)38-29-31-45-44-23-9-12-26-49(44)54(50(45)35-38)33-15-2-16-34-54/h1,3-14,17-32,35-36H,2,15-16,33-34H2
InChIKeyFYYIUVTZDROHPP-UHFFFAOYSA-N
MW736.00 g/mol
LogP15.76
Rot. Bonds6

About N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine

N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine (PubChem CID 170119142) has the molecular formula C54H41NS and a molecular weight of 736.00 g/mol. Its IUPAC name is N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine
PubChem CID170119142
Molecular FormulaC54H41NS
Molecular Weight736.00 g/mol
Exact Mass735.30
IUPAC NameN-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C54H41NS/c1-3-17-37(18-4-1)40-19-5-6-20-41(40)42-21-7-8-22-43(42)46-24-10-13-27-51(46)55(39-30-32-48-47-25-11-14-28-52(47)56-53(48)36-39)38-29-31-45-44-23-9-12-26-49(44)54(50(45)35-38)33-15-2-16-34-54/h1,3-14,17-32,35-36H,2,15-16,33-34H2
InChIKeyFYYIUVTZDROHPP-UHFFFAOYSA-N
XLogP15.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.00
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-1-amine
CID 170217891
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 138493702
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114784
8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 170118562
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807438
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116295
N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170116780
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-7-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217191
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine?
The IUPAC name of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine (CID 170119142) is N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine.
What is the SMILES notation for N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine?
The canonical SMILES for N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine?
The InChIKey is FYYIUVTZDROHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NS/c1-3-17-37(18-4-1)40-19-5-6-20-41(40)42-21-7-8-22-43(42)46-24-10-13-27-51(46)55(39-30-32-48-47-25-11-14-28-52(47)56-53(48)36-39)38-29-31-45-44-23-9-12-26-49(44)54(50(45)35-38)33-15-2-16-34-54/h1,3-14,17-32,35-36H,2,15-16,33-34H2.
What are the key properties of N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine?
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine has a molecular weight of 736.00 g/mol, XLogP of 15.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine is sourced from PubChem (CID 170119142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).