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

C67H43NS — CID 140919295

IUPAC2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H43NS/c1-3-17-44(18-4-1)45-31-36-50(37-32-45)68(64-29-15-10-21-52(64)46-19-5-2-6-20-46)51-38-33-47(34-39-51)58-41-49(42-59-57-25-11-16-30-65(57)69-66(58)59)48-35-40-56-55-24-9-14-28-62(55)67(63(56)43-48)60-26-12-7-22-53(60)54-23-8-13-27-61(54)67/h1-43H
InChIKeySNTLDHCXLJYWGC-UHFFFAOYSA-N
MW894.16 g/mol
LogP18.54
Rot. Bonds7

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

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline (PubChem CID 140919295) has the molecular formula C67H43NS and a molecular weight of 894.16 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
PubChem CID140919295
Molecular FormulaC67H43NS
Molecular Weight894.16 g/mol
Exact Mass893.31
IUPAC Name2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H43NS/c1-3-17-44(18-4-1)45-31-36-50(37-32-45)68(64-29-15-10-21-52(64)46-19-5-2-6-20-46)51-38-33-47(34-39-51)58-41-49(42-59-57-25-11-16-30-65(57)69-66(58)59)48-35-40-56-55-24-9-14-28-62(55)67(63(56)43-48)60-26-12-7-22-53(60)54-23-8-13-27-61(54)67/h1-43H
InChIKeySNTLDHCXLJYWGC-UHFFFAOYSA-N
XLogP18.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.16
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 140919200
2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919484
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088
N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
CID 134551410
2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 134195004
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919378
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-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline?
The IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline (CID 140919295) is 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline?
The canonical SMILES for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline?
The InChIKey is SNTLDHCXLJYWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NS/c1-3-17-44(18-4-1)45-31-36-50(37-32-45)68(64-29-15-10-21-52(64)46-19-5-2-6-20-46)51-38-33-47(34-39-51)58-41-49(42-59-57-25-11-16-30-65(57)69-66(58)59)48-35-40-56-55-24-9-14-28-62(55)67(63(56)43-48)60-26-12-7-22-53(60)54-23-8-13-27-61(54)67/h1-43H.
What are the key properties of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline?
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline has a molecular weight of 894.16 g/mol, XLogP of 18.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline is sourced from PubChem (CID 140919295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).