N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine

C68H45NS — CID 168848047

IUPACN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C68H45NS/c1-2-16-51(17-3-1)59-43-44-65(67-64-26-12-13-28-66(64)70-68(59)67)69(55-39-35-48(36-40-55)47-29-31-49(32-30-47)54-34-33-46-15-4-5-19-53(46)45-54)56-41-37-52(38-42-56)58-22-8-9-23-60(58)62-24-10-11-25-63(62)61-27-14-20-50-18-6-7-21-57(50)61/h1-45H
InChIKeyAQFCUOAHMCERML-UHFFFAOYSA-N
MW908.18 g/mol
LogP19.83
Rot. Bonds9

About N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine (PubChem CID 168848047) has the molecular formula C68H45NS and a molecular weight of 908.18 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
PubChem CID168848047
Molecular FormulaC68H45NS
Molecular Weight908.18 g/mol
Exact Mass907.33
IUPAC NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C68H45NS/c1-2-16-51(17-3-1)59-43-44-65(67-64-26-12-13-28-66(64)70-68(59)67)69(55-39-35-48(36-40-55)47-29-31-49(32-30-47)54-34-33-46-15-4-5-19-53(46)45-54)56-41-37-52(38-42-56)58-22-8-9-23-60(58)62-24-10-11-25-63(62)61-27-14-20-50-18-6-7-21-57(50)61/h1-45H
InChIKeyAQFCUOAHMCERML-UHFFFAOYSA-N
XLogP19.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847741
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 168847842
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 168848021
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 168847999
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N,N-di(phenanthren-3-yl)-4-phenyldibenzothiophen-1-amine
CID 176821444

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine (CID 168848047) is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine?
The InChIKey is AQFCUOAHMCERML-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NS/c1-2-16-51(17-3-1)59-43-44-65(67-64-26-12-13-28-66(64)70-68(59)67)69(55-39-35-48(36-40-55)47-29-31-49(32-30-47)54-34-33-46-15-4-5-19-53(46)45-54)56-41-37-52(38-42-56)58-22-8-9-23-60(58)62-24-10-11-25-63(62)61-27-14-20-50-18-6-7-21-57(50)61/h1-45H.
What are the key properties of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine?
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine has a molecular weight of 908.18 g/mol, XLogP of 19.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 168848047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).