N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine

C56H36FNS — CID 176630489

IUPACN-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
SMILESFc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5cc(-c6cccc(-c7cccc8ccccc78)c6)ccc5c34)cc2)cc1
InChIInChI=1S/C56H36FNS/c57-45-29-24-37(25-30-45)38-26-31-46(32-27-38)58(47-17-6-16-44(35-47)51-21-8-13-40-11-2-4-19-49(40)51)53-22-9-23-54-56(53)52-33-28-42(36-55(52)59-54)41-14-5-15-43(34-41)50-20-7-12-39-10-1-3-18-48(39)50/h1-36H
InChIKeyMZWOKFSKJSOCFS-UHFFFAOYSA-N
MW773.98 g/mol
LogP16.64
Rot. Bonds7

About N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine

N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine (PubChem CID 176630489) has the molecular formula C56H36FNS and a molecular weight of 773.98 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
PubChem CID176630489
Molecular FormulaC56H36FNS
Molecular Weight773.98 g/mol
Exact Mass773.26
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
SMILESFc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5cc(-c6cccc(-c7cccc8ccccc78)c6)ccc5c34)cc2)cc1
InChIInChI=1S/C56H36FNS/c57-45-29-24-37(25-30-45)38-26-31-46(32-27-38)58(47-17-6-16-44(35-47)51-21-8-13-40-11-2-4-19-49(40)51)53-22-9-23-54-56(53)52-33-28-42(36-55(52)59-54)41-14-5-15-43(34-41)50-20-7-12-39-10-1-3-18-48(39)50/h1-36H
InChIKeyMZWOKFSKJSOCFS-UHFFFAOYSA-N
XLogP16.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167182895
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326186
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
N-(4-dibenzothiophen-3-ylphenyl)-2-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 168846088

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine (CID 176630489) is N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine is Fc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5cc(-c6cccc(-c7cccc8ccccc78)c6)ccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is MZWOKFSKJSOCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36FNS/c57-45-29-24-37(25-30-45)38-26-31-46(32-27-38)58(47-17-6-16-44(35-47)51-21-8-13-40-11-2-4-19-49(40)51)53-22-9-23-54-56(53)52-33-28-42(36-55(52)59-54)41-14-5-15-43(34-41)50-20-7-12-39-10-1-3-18-48(39)50/h1-36H.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine?
N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine has a molecular weight of 773.98 g/mol, XLogP of 16.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)phenyl]-N,7-bis(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 176630489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).