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

C75H49NS — CID 168847706

IUPACN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6cccc7ccccc67)c6sc7ccccc7c56)c4)cc32)cc1
InChIInChI=1S/C75H49NS/c1-3-23-57(24-4-1)75(58-25-5-2-6-26-58)69-34-13-11-30-65(69)66-45-42-56(49-70(66)75)55-22-15-27-60(48-55)76(59-43-40-51(41-44-59)50-36-38-54(39-37-50)62-32-16-20-52-18-7-9-28-61(52)62)71-47-46-67(64-33-17-21-53-19-8-10-29-63(53)64)74-73(71)68-31-12-14-35-72(68)77-74/h1-49H
InChIKeyZPZPUZBZKGMNHI-UHFFFAOYSA-N
MW996.29 g/mol
LogP20.86
Rot. Bonds9

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

N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 168847706) has the molecular formula C75H49NS and a molecular weight of 996.29 g/mol. Its IUPAC name is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID168847706
Molecular FormulaC75H49NS
Molecular Weight996.29 g/mol
Exact Mass995.36
IUPAC NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6cccc7ccccc67)c6sc7ccccc7c56)c4)cc32)cc1
InChIInChI=1S/C75H49NS/c1-3-23-57(24-4-1)75(58-25-5-2-6-26-58)69-34-13-11-30-65(69)66-45-42-56(49-70(66)75)55-22-15-27-60(48-55)76(59-43-40-51(41-44-59)50-36-38-54(39-37-50)62-32-16-20-52-18-7-9-28-61(52)62)71-47-46-67(64-33-17-21-53-19-8-10-29-63(53)64)74-73(71)68-31-12-14-35-72(68)77-74/h1-49H
InChIKeyZPZPUZBZKGMNHI-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-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
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-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
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
2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 166987952
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767715
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (CID 168847706) is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6cccc7ccccc67)c6sc7ccccc7c56)c4)cc32)cc1.
What is the InChIKey of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is ZPZPUZBZKGMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49NS/c1-3-23-57(24-4-1)75(58-25-5-2-6-26-58)69-34-13-11-30-65(69)66-45-42-56(49-70(66)75)55-22-15-27-60(48-55)76(59-43-40-51(41-44-59)50-36-38-54(39-37-50)62-32-16-20-52-18-7-9-28-61(52)62)71-47-46-67(64-33-17-21-53-19-8-10-29-63(53)64)74-73(71)68-31-12-14-35-72(68)77-74/h1-49H.
What are the key properties of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine 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 N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168847706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).