N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine

C49H31NS — CID 140919568

IUPACN,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31NS/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)35-30-41(48-42(31-35)40-22-10-14-26-47(40)51-48)32-27-28-39-38-21-9-13-25-45(38)49(46(39)29-32)43-23-11-7-19-36(43)37-20-8-12-24-44(37)49/h1-31H
InChIKeySTRNGRMURKWRIH-UHFFFAOYSA-N
MW665.86 g/mol
LogP13.53
Rot. Bonds4

About N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine

N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (PubChem CID 140919568) has the molecular formula C49H31NS and a molecular weight of 665.86 g/mol. Its IUPAC name is N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
PubChem CID140919568
Molecular FormulaC49H31NS
Molecular Weight665.86 g/mol
Exact Mass665.22
IUPAC NameN,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31NS/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)35-30-41(48-42(31-35)40-22-10-14-26-47(40)51-48)32-27-28-39-38-21-9-13-25-45(38)49(46(39)29-32)43-23-11-7-19-36(43)37-20-8-12-24-44(37)49/h1-31H
InChIKeySTRNGRMURKWRIH-UHFFFAOYSA-N
XLogP13.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.86
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 140919200
N,4-diphenyl-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 159227024
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118298525
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 140919295
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
N-(4-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118910861
N-(3-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308696
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168767516

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The IUPAC name of N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (CID 140919568) is N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The canonical SMILES for N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3sc4ccccc4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The InChIKey is STRNGRMURKWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NS/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)35-30-41(48-42(31-35)40-22-10-14-26-47(40)51-48)32-27-28-39-38-21-9-13-25-45(38)49(46(39)29-32)43-23-11-7-19-36(43)37-20-8-12-24-44(37)49/h1-31H.
What are the key properties of N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine has a molecular weight of 665.86 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 140919568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).