N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine

C62H41NS — CID 166679420

IUPACN,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc4S3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41NS/c1-4-18-42(19-5-1)43-32-38-59-57(40-43)62(55-30-16-12-26-51(55)52-27-13-17-31-56(52)62)58-41-48(37-39-60(58)64-59)63(46-22-8-3-9-23-46)47-35-33-45(34-36-47)61(44-20-6-2-7-21-44)53-28-14-10-24-49(53)50-25-11-15-29-54(50)61/h1-41H
InChIKeyJIUJRBCYWBKDQL-UHFFFAOYSA-N
MW832.08 g/mol
LogP16.01
Rot. Bonds6

About N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine

N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine (PubChem CID 166679420) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine.

Molecular Properties

Compound NameN,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine
PubChem CID166679420
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC NameN,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc4S3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41NS/c1-4-18-42(19-5-1)43-32-38-59-57(40-43)62(55-30-16-12-26-51(55)52-27-13-17-31-56(52)62)58-41-48(37-39-60(58)64-59)63(46-22-8-3-9-23-46)47-35-33-45(34-36-47)61(44-20-6-2-7-21-44)53-28-14-10-24-49(53)50-25-11-15-29-54(50)61/h1-41H
InChIKeyJIUJRBCYWBKDQL-UHFFFAOYSA-N
XLogP16.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
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-[3-(9,9-dimethylthioxanthen-3-yl)phenyl]-N-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 166679241
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
CID 168793800
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707025

Frequently Asked Questions

What is the IUPAC name of N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine?
The IUPAC name of N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine (CID 166679420) is N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine.
What is the SMILES notation for N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine?
The canonical SMILES for N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine is c1ccc(-c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc4S3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine?
The InChIKey is JIUJRBCYWBKDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-4-18-42(19-5-1)43-32-38-59-57(40-43)62(55-30-16-12-26-51(55)52-27-13-17-31-56(52)62)58-41-48(37-39-60(58)64-59)63(46-22-8-3-9-23-46)47-35-33-45(34-36-47)61(44-20-6-2-7-21-44)53-28-14-10-24-49(53)50-25-11-15-29-54(50)61/h1-41H.
What are the key properties of N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine?
N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine has a molecular weight of 832.08 g/mol, XLogP of 16.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine is sourced from PubChem (CID 166679420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).