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

C128H82N2S2 — CID 159227024

IUPACN,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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C67H43NS.C61H39NS/c1-3-15-44(16-4-1)46-27-34-51(35-28-46)68(52-36-29-47(30-37-52)45-17-5-2-6-18-45)53-38-31-48(32-39-53)59-41-50(42-60-58-22-10-14-26-65(58)69-66(59)60)49-33-40-57-56-21-9-13-25-63(56)67(64(57)43-49)61-23-11-7-19-54(61)55-20-8-12-24-62(55)67;1-3-15-40(16-4-1)41-27-32-46(33-28-41)62(45-17-5-2-6-18-45)47-34-29-42(30-35-47)53-37-44(38-54-52-22-10-14-26-59(52)63-60(53)54)43-31-36-51-50-21-9-13-25-57(50)61(58(51)39-43)55-23-11-7-19-48(55)49-20-8-12-24-56(49)61/h1-43H;1-39H
InChIKeyKSKMOBWMUYUHRJ-UHFFFAOYSA-N
MW1712.21 g/mol
LogP35.40
Rot. Bonds13

About 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

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 (PubChem CID 159227024) has the molecular formula C128H82N2S2 and a molecular weight of 1712.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID159227024
Molecular FormulaC128H82N2S2
Molecular Weight1712.21 g/mol
Exact Mass1710.59
IUPAC NameN,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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C67H43NS.C61H39NS/c1-3-15-44(16-4-1)46-27-34-51(35-28-46)68(52-36-29-47(30-37-52)45-17-5-2-6-18-45)53-38-31-48(32-39-53)59-41-50(42-60-58-22-10-14-26-65(58)69-66(59)60)49-33-40-57-56-21-9-13-25-63(56)67(64(57)43-49)61-23-11-7-19-54(61)55-20-8-12-24-62(55)67;1-3-15-40(16-4-1)41-27-32-46(33-28-41)62(45-17-5-2-6-18-45)47-34-29-42(30-35-47)53-37-44(38-54-52-22-10-14-26-59(52)63-60(53)54)43-31-36-51-50-21-9-13-25-57(50)61(58(51)39-43)55-23-11-7-19-48(55)49-20-8-12-24-56(49)61/h1-43H;1-39H
InChIKeyKSKMOBWMUYUHRJ-UHFFFAOYSA-N
XLogP35.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.21
LogP ≤ 535.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485
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-(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-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
5-(3-dibenzothiophen-2-ylphenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 134471524
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-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KSKMOBWMUYUHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NS.C61H39NS/c1-3-15-44(16-4-1)46-27-34-51(35-28-46)68(52-36-29-47(30-37-52)45-17-5-2-6-18-45)53-38-31-48(32-39-53)59-41-50(42-60-58-22-10-14-26-65(58)69-66(59)60)49-33-40-57-56-21-9-13-25-63(56)67(64(57)43-49)61-23-11-7-19-54(61)55-20-8-12-24-62(55)67;1-3-15-40(16-4-1)41-27-32-46(33-28-41)62(45-17-5-2-6-18-45)47-34-29-42(30-35-47)53-37-44(38-54-52-22-10-14-26-59(52)63-60(53)54)43-31-36-51-50-21-9-13-25-57(50)61(58(51)39-43)55-23-11-7-19-48(55)49-20-8-12-24-56(49)61/h1-43H;1-39H.
What are the key properties of 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?
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 has a molecular weight of 1712.21 g/mol, XLogP of 35.40, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159227024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).