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

C61H39NS — CID 140919200

IUPACN-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4sc5ccccc5c4c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H39NS/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)62(58-29-15-10-21-46(58)42-19-5-2-6-20-42)45-38-52(60-53(39-45)51-25-11-16-30-59(51)63-60)43-33-36-50-49-24-9-14-28-56(49)61(57(50)37-43)54-26-12-7-22-47(54)48-23-8-13-27-55(48)61/h1-39H
InChIKeyZFNIAUFFUDNZCV-UHFFFAOYSA-N
MW818.06 g/mol
LogP16.87
Rot. Bonds6

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

N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (PubChem CID 140919200) has the molecular formula C61H39NS and a molecular weight of 818.06 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
PubChem CID140919200
Molecular FormulaC61H39NS
Molecular Weight818.06 g/mol
Exact Mass817.28
IUPAC NameN-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4sc5ccccc5c4c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H39NS/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)62(58-29-15-10-21-46(58)42-19-5-2-6-20-42)45-38-52(60-53(39-45)51-25-11-16-30-59(51)63-60)43-33-36-50-49-24-9-14-28-56(49)61(57(50)37-43)54-26-12-7-22-47(54)48-23-8-13-27-55(48)61/h1-39H
InChIKeyZFNIAUFFUDNZCV-UHFFFAOYSA-N
XLogP16.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.06
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 140919295
N,N-diphenyl-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 140919568
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
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
2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919484
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
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,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
CID 134551410
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-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N-(4-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118910861

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (CID 140919200) is N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4sc5ccccc5c4c3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The InChIKey is ZFNIAUFFUDNZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NS/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)62(58-29-15-10-21-46(58)42-19-5-2-6-20-42)45-38-52(60-53(39-45)51-25-11-16-30-59(51)63-60)43-33-36-50-49-24-9-14-28-56(49)61(57(50)37-43)54-26-12-7-22-47(54)48-23-8-13-27-55(48)61/h1-39H.
What are the key properties of N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine has a molecular weight of 818.06 g/mol, XLogP of 16.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 140919200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).