N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline

C65H44N2S — CID 118520998

IUPACN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C65H44N2S/c1-5-19-48(20-6-1)66(49-21-7-2-8-22-49)52-38-33-45(34-39-52)47-37-42-56-60(43-47)65(58-29-15-17-31-62(58)68-63-32-18-16-30-59(63)65)61-44-57(54-27-13-14-28-55(54)64(56)61)46-35-40-53(41-36-46)67(50-23-9-3-10-24-50)51-25-11-4-12-26-51/h1-44H
InChIKeyOOYPQZKFIFXHFK-UHFFFAOYSA-N
MW885.15 g/mol
LogP17.94
Rot. Bonds8

About N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline (PubChem CID 118520998) has the molecular formula C65H44N2S and a molecular weight of 885.15 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline
PubChem CID118520998
Molecular FormulaC65H44N2S
Molecular Weight885.15 g/mol
Exact Mass884.32
IUPAC NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C65H44N2S/c1-5-19-48(20-6-1)66(49-21-7-2-8-22-49)52-38-33-45(34-39-52)47-37-42-56-60(43-47)65(58-29-15-17-31-62(58)68-63-32-18-16-30-59(63)65)61-44-57(54-27-13-14-28-55(54)64(56)61)46-35-40-53(41-36-46)67(50-23-9-3-10-24-50)51-25-11-4-12-26-51/h1-44H
InChIKeyOOYPQZKFIFXHFK-UHFFFAOYSA-N
XLogP17.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.15
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
9-[4-(4-tert-butyl-N-naphthalen-2-ylanilino)phenyl]-N-(4-tert-butylphenyl)-N-naphthalen-2-ylspiro[benzo[c]fluorene-7,9'-thioxanthene]-5-amine
CID 118521053
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 158194308
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 161377030
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 126712785
N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline (CID 118520998) is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc5c3-4)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline?
The InChIKey is OOYPQZKFIFXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2S/c1-5-19-48(20-6-1)66(49-21-7-2-8-22-49)52-38-33-45(34-39-52)47-37-42-56-60(43-47)65(58-29-15-17-31-62(58)68-63-32-18-16-30-59(63)65)61-44-57(54-27-13-14-28-55(54)64(56)61)46-35-40-53(41-36-46)67(50-23-9-3-10-24-50)51-25-11-4-12-26-51/h1-44H.
What are the key properties of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline?
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline has a molecular weight of 885.15 g/mol, XLogP of 17.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline is sourced from PubChem (CID 118520998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).