2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline

C75H49NS — CID 166987952

IUPAC2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C75H49NS/c1-4-24-55(25-5-1)75(56-26-6-2-7-27-56)69-36-16-14-32-64(69)67-48-54(40-46-70(67)75)63-44-45-65(73-66-33-15-17-37-72(66)77-74(63)73)68-49-53(62-35-19-23-51-21-11-13-31-60(51)62)41-47-71(68)76(57-28-8-3-9-29-57)58-42-38-52(39-43-58)61-34-18-22-50-20-10-12-30-59(50)61/h1-49H
InChIKeyVUZVCDXJHIYPNY-UHFFFAOYSA-N
MW996.29 g/mol
LogP20.86
Rot. Bonds9

About 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline

2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline (PubChem CID 166987952) has the molecular formula C75H49NS and a molecular weight of 996.29 g/mol. Its IUPAC name is 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
PubChem CID166987952
Molecular FormulaC75H49NS
Molecular Weight996.29 g/mol
Exact Mass995.36
IUPAC Name2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C75H49NS/c1-4-24-55(25-5-1)75(56-26-6-2-7-27-56)69-36-16-14-32-64(69)67-48-54(40-46-70(67)75)63-44-45-65(73-66-33-15-17-37-72(66)77-74(63)73)68-49-53(62-35-19-23-51-21-11-13-31-60(51)62)41-47-71(68)76(57-28-8-3-9-29-57)58-42-38-52(39-43-58)61-34-18-22-50-20-10-12-30-59(50)61/h1-49H
InChIKeyVUZVCDXJHIYPNY-UHFFFAOYSA-N
XLogP20.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.29
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767715

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
The IUPAC name of 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline (CID 166987952) is 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
The canonical SMILES for 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3sc4ccccc4c23)cc1.
What is the InChIKey of 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
The InChIKey is VUZVCDXJHIYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49NS/c1-4-24-55(25-5-1)75(56-26-6-2-7-27-56)69-36-16-14-32-64(69)67-48-54(40-46-70(67)75)63-44-45-65(73-66-33-15-17-37-72(66)77-74(63)73)68-49-53(62-35-19-23-51-21-11-13-31-60(51)62)41-47-71(68)76(57-28-8-3-9-29-57)58-42-38-52(39-43-58)61-34-18-22-50-20-10-12-30-59(50)61/h1-49H.
What are the key properties of 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline?
2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline has a molecular weight of 996.29 g/mol, XLogP of 20.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 166987952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).